CASRN Chemical Name DTXSID Original SMILES Original InChIKey QSAR Ready SMILES AMES Test Results Overall Genotoxicity Group Sub-group In vivo genotoxicity tests In vitro mammalian cell tests Carcinogenicity findings Comments 6055-19-2 Cyclophosphamide monohydrate DTXSID6024888 O.ClCCN(CCCl)P1(=O)NCCCO1 PWOQRKCAHTVFLB-UHFFFAOYSA-N ClCCN(CCCl)P1(=O)NCCCO1 positive Genotoxic Ames-positive in vivo genotoxins/carcinogens O6and N7alkylators "+ve for CA, MN, transgenic mutations and contents" "+ve MLA, MN and CA" "Tumours at multiple sites in rats and mice after oral and subcutaneous administration, IARC Group 1 carcinogen" Requires metabolic activation (CYP286) 759-73-9 1-Ethyl-1-nitrosourea DTXSID8020593 CCN(N=O)C(N)=O FUSGACRLAFQQRL-UHFFFAOYSA-N CCN(N=O)C(N)=O positive Genotoxic Ames-positive in vivo genotoxins/carcinogens O6and N7alkylators "+ve for CA, MN, comet and transgenic mutations in many tissues" "+ve for MN, CA, MLA, HPRT mutations and UDS" "Nervous system, small intestine and thyroid tumours in rats. Skin tumours in mice after dermal application. IARC Group 2A carcinogen" Strong gene mutagen (06 alkylation) 66-27-3 Methyl methanesulfonate DTXSID7020845 COS(C)(=O)=O MBABOKRGFJTBAE-UHFFFAOYSA-N COS(C)(=O)=O positive Genotoxic Ames-positive in vivo genotoxins/carcinogens O6 and N7alkylators "+ve for CA, MN, UDS and comets in stomach and liver in the JaCVAM trial, but more ?ve than +ve results for gene mutations" "+ve at low concentrations for MLA, MN, CA, HPRT mutations and UDS" Haematopoietic and lung tumours in male mice. IARC Group 2A carcinogen Strong clastogen (N7 alkylation) 50-32-8 Benzo(a)pyrene DTXSID2020139 C1=CC2=CC3=CC=C4C=CC=C5C=CC(=C2C=C1)C3=C45 FMMWHPNWAFZXNH-UHFFFAOYSA-N C1=CC2=CC3=CC=C4C=CC=C5C=CC(=C2C=C1)C3=C45 positive Genotoxic Ames-positive in vivo genotoxins/carcinogens Polycyclic aromatic hydrocarbons +ve for MN and gene mutations "+ve for multiple endpoints in vitro at low concentrations, but needs metabolism" "Stomach tumours in rats, oesophageal tumours in male mice, skin tumours in mice after dermal application. IARC Group 2A carcinogen " "Requires metabolic activation (CYP 1A1, 1B1, epoxide hydrolase), forms bulky adducts" 57-97-6 "7,12-Dimethylbenz(a)anthracene" DTXSID1020510 CC1=C2C=CC=CC2=C(C)C2=C3C=CC=CC3=CC=C12 ARSRBNBHOADGJU-UHFFFAOYSA-N CC1=C2C=CC=CC2=C(C)C2=C3C=CC=CC3=CC=C12 positive Genotoxic Ames-positive in vivo genotoxins/carcinogens Polycyclic aromatic hydrocarbons "+ve for MN in bone marrow and blood, CA in bone marrow and gene mutations" "+ve for MLA, HPRT mutations, MN and UDS, but variable CA responses" "Vascular tumours in female mice (not tested systemically in rats), skin tumours in mice, hamsters and gerbils following dermal application. Not classified by IARC with regrd to human carcinogencity." "Requires metabolic activation (CYP1B1), forms bulky adducts" 53-96-3 2-Acetylaminofluorene DTXSID0039227 CC(=O)NC1=CC=C2C(CC3=C2C=CC=C3)=C1 CZIHNRWJTSTCEX-UHFFFAOYSA-N CC(=O)NC1=CC=C2C(CC3=C2C=CC=C3)=C1 positive Genotoxic Ames-positive in vivo genotoxins/carcinogens Aromatic amines "+ve for many endpoints including MN, CA, UDS and gene mutations in multiple tissues, but both +ve and ?ve comet results" "+ve for MLA, MN and UDS, but variable responses for CA and HPRT mutations" "Liver tumours in rates and mice, bladder tumours in mice, mammary gland and skin tumours in rats. Not classified by IARC with regard to human carcinogenicty." Hydroxlated by CyP1A2 and then acetylated. Forms C8 adduct on guanine 95-80-7 "2,4-Diaminotoluene" DTXSID4020402 CC1=C(N)C=C(N)C=C1 VOZKAJLKRJDJLL-UHFFFAOYSA-N CC1=C(N)C=C(N)C=C1 positive Genotoxic Ames-positive in vivo genotoxins/carcinogens Aromatic amines "+ve for UDS, transgenic mutations and comets, but both –ve and +ve results for MN in bone marrow" "+ve for MLA, CA, MN and UDS, but –ve for HPRT mutations" "Liver, kidney and mammary gland carcinogen after oral administration. Induces mutations in liver/bladder after dermal application. IARC Group 2B carcinogen" "Aromatic amine, requires metabolic activation" 62-75-9 N-Nitrosodimethylamine DTXSID7021029 CN(C)N=O UMFJAHHVKNCGLG-UHFFFAOYSA-N CN(C)N=O positive Genotoxic Ames-positive in vivo genotoxins/carcinogens Aromatic amines "+ve for gene mutations, Uds, MN and comets in liver, but generally –ve for MN in bone marrow" "+ve for MN, CA, MLS, HPRT mutations and UDS" "Liver tumours in rats and mice, but also lung, nervous system, kidney, testes and vascular tumours. IARC Group 2A carcinogen" Alkylating agent after activitation by CYP2E1 (which is not highly expressed in rat liver S9) produces O6 - and N7-methyl guanine adducts 76180-96-6 "2-Amino-3-methyl-3H-imidazo[4,5-f]quinoline" DTXSID4020745 CN1C(N)=NC2=C1C=CC1=C2C=CC=N1 ARZWATDYIYAUTA-UHFFFAOYSA-N CN1C(N)=NC2=C1C=CC1=C2C=CC=N1 positive Genotoxic Ames-positive in vivo genotoxins/carcinogens Aromatic amines "+ve for transgenic mutations, CA in hepatocytes and comets, but –ve for MN and for CA in bone marrow" "+ve for MN and UDS, but for CA both –ve and +ve results have been reported" "Tumours in multiple organs, rats and mice. IARC Group 2A carcinogen" "Heterocyclic amine with potent genotoxicity, requires metabolic activation" 105650-23-5 "2-Amino-1methyl-6-phenylimidazo [4,5-b]pyridine" DTXSID3037628 CN1C(N)=NC2=C1C=C(C=N2)C1=CC=CC=C1 UQVKZNNCIHJZLS-UHFFFAOYSA-N CN1C(N)=NC2=C1C=C(C=N2)C1=CC=CC=C1 positive Genotoxic Ames-positive in vivo genotoxins/carcinogens Aromatic amines "+ve for MN, UDS, transgenic mutations and comets in liver kidney and brain, but –ve for CA" "+ve for MN, CA, UDS and HPRT mutations" "Mainly haematopoietic tumours, also GI and protstate tumours in male rates. IARC Group 2B carcinogen" "Heterocyclic amine with potent genotoxicity, requires metabolic activation" 1162-65-8 Aflatoxin B1 DTXSID9020035 [H][C@]12OC=C[C@@]1([H])C1=C(O2)C=C(OC)C2=C1OC(=O)C1=C2CCC1=O OQIQSTLJSLGHID-WNWIJWBNSA-N COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C2C3C=COC3OC2=C1 positive Genotoxic Ames-positive in vivo genotoxins/carcinogens Others "+ve for MN, CA, UDS and transgenic muations in liver, but –ve for comets" "+ve for CA, MN, HPRT mutations at low concentrations +S9, UDS" "Liver and large intestine tumours in rates, non-carcinogenic in mice. IARC Group 1 carcinogen" "Activated by CYP3A4, which is not highly expressed in rats compared with humans. Forms various adducts" 106-47-8 4-Chloroaniline DTXSID9020295 NC1=CC=C(Cl)C=C1 QSNSCYSYFYORTR-UHFFFAOYSA-N NC1=CC=C(Cl)C=C1 positive Genotoxic Ames-positive in vivo genotoxins/carcinogens Others "+ve for comets, equivocal and +ve results for MN" "variable MLA results, but +ve for CA" "Non-carcinogenic according to CPDB, but considered +ve based on splenic tumours in rats. IARC Group 2B (free base)" No adducts 20265-96-7 4-Chloroaniline hydrochloride DTXSID4020296 Cl.NC1=CC=C(Cl)C=C1 ISJBQSJDQZLCSF-UHFFFAOYSA-N NC1=CC=C(Cl)C=C1 positive Genotoxic Ames-positive in vivo genotoxins/carcinogens Others "+ve for comets, equivocal and +ve results for MN" "variable MLA results, but +ve for CA" "Non-carcinogenic according to CPDB, but considered +ve based on splenic tumours in rats. IARC Group 2B (free base)" No adducts 15663-27-1 Cisplatin DTXSID4024983 [H][N]([H])([H])[Pt++]([Cl-])([Cl-])[N]([H])([H])[H] LXZZYRPGZAFOLE-UHFFFAOYSA-L Not available positive Genotoxic Ames-positive in vivo genotoxins/carcinogens Others "+ve for CA, MN, comets in liver and transgenic mutations" "+ve for CA at low centrations, HPRT mutations and UDS" Lung adenomas in mice and leukaemia in rats. IARC Group 2A carcinogen Cross-linking agent 33419-42-0 Etoposide DTXSID5023035 [H][C@]12COC(=O)[C@]1([H])[C@H](C1=CC(OC)=C(O)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@H]2O[C@]1([H])O[C@]2([H])CO[C@@H](C)O[C@@]2([H])[C@H](O)[C@H]1O VJJPUSNTGOMMGY-MRVIYFEKSA-N COC1=CC(=CC(OC)=C1O)C1C2C(COC2=O)C(OC2OC3COC(C)OC3C(O)C2O)C2=C1C=C1OCOC1=C2 positive Genotoxic Ames-positive in vivo genotoxins/carcinogens Others "+ve for MN and CA, but –ve for transgenic mutations" "+ve in CA, MLA, comet, MN and for HPRT mutations" "Inadequate evidence of carcinogenicity in animals and limted evidence in human recently classified as Group1 for distinct genotoxic effects inducing acute myeloid leukaemia in humans (high fequency of translocations of 11q23 and the localications of the breaks within the MLL gene, a gene involved in haematopoiesis" Topoisomerase inhibitor 50-07-7 Mitomycin C DTXSID2020898 CO[C@]12[C@H]3N[C@H]3CN1C1=C([C@H]2COC(N)=O)C(=O)C(N)=C(C)C1=O NWIBSHFKIJFRCO-WUDYKRTCSA-N COC12C3NC3CN1C1=C(C2COC(N)=O)C(=O)C(N)=C(C)C1=O positive Genotoxic Ames-positive in vivo genotoxins/carcinogens Others "+ve for CA, MN in bone marrow and vlood and transgenic mutations" "+ve for CA, MN, MLA, HPRT mutations and UDS" Induces lumours of the peritoneal cavity according to CPDB. IARC Group 2B carcinogen "Induces DNA–DNA crosslinks, but also has akylating activity and induces oxidative damage" 56-57-5 4-Nitroquinoline-1-oxide DTXSID5025780 [O-][N+](=O)C1=CC=[N+]([O-])C2=CC=CC=C12 YHQDZJICGQWFHK-UHFFFAOYSA-N [O-][N+](=O)C1=CC=[N+]([O-])C2=CC=CC=C12 positive Genotoxic Ames-positive in vivo genotoxins/carcinogens Others "+ve for CA, MN and transgenic mutations" "+ve for CA, MN, MLA, HPRT mutations and UDS" "Induces adeno-mas/adenocarcinomas in lung, sarcomas/fibrosarcomas at site of injection and carcinomas of the tongue" "Aklylating agent, forms DNA adducts" 64-86-8 Colchicine DTXSID5024845 [H][C@@]1(CCC2=C(C(OC)=C(OC)C(OC)=C2)C2=CC=C(OC)C(=O)C=C12)NC(C)=O IAKHMKGGTNLKSZ-INIZCTEOSA-N COC1=C(OC)C(OC)=C2C(CCC(NC(C)=O)C3=CC(=O)C(OC)=CC=C23)=C1 negative Genotoxic In vivo genotoxins and/or carcinogens negative or equivocal in Ames Probable aneugens +ve for MN in bone marrow and liver "+ve for MN polyploidy in CA, MLA with 24 h – S9 treatment" Carcinogenicity not established MoA: aneugen 123-31-9 Hydroquinone DTXSID7020716 OC1=CC=C(O)C=C1 QIGBRXMKCJKVMJ-UHFFFAOYSA-N OC1=CC=C(O)C=C1 negative Genotoxic In vivo genotoxins and/or carcinogens negative or equivocal in Ames Probable aneugens "+ve for CA and MN, but –ve for transgenic mutations in liver, stomach, lung and kidney of MutaMouse and –ve for comets in stomach and liver" "+ve for Mla before and after re-evlauation, MN and CA at >10ug/ml" "Kidney, liver and Haematopoietic tumours in rats and mice. IARC Group 3" "Likely multiple MoA, including possible aneuploidy" 33069-62-4 Paclitaxel DTXSID9023413 CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1 RCINICONZNJXQF-MZXODVADSA-N CC(=O)OC1C2=C(C)C(CC(O)(C(OC(=O)C3=CC=CC=C3)C3C4(COC4CC(O)C3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)C(O)C(NC(=O)C1=CC=CC=C1)C1=CC=CC=C1 negative Genotoxic In vivo genotoxins and/or carcinogens negative or equivocal in Ames Probable aneugens Strong +ve MN in bone marrow and liver +ve for MN polyploidy in a CA test and in MLA Carcinogenicity not established MoA: aneugen 143-67-9 Vinblastine sulfate DTXSID601017133 OS(O)(=O)=O.[H][C@@]12N(C)C3=CC(OC)=C(C=C3[C@@]11CCN3CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@@]13[H])[C@]1(C[C@@]2([H])C[N@](C[C@](O)(CC)C2)CCC2=C1NC1=CC=CC=C21)C(=O)OC KDQAABAKXDWYSZ-PNYVAJAMSA-N [H]C12CN(CC(O)(CC)C1)CCC1=C(NC3=CC=CC=C13)C(C2)(C(=O)OC)C1=CC2=C(C=C1OC)N(C)C1C22CCN3CC=CC(CC)(C23)C(OC(C)=O)C1(O)C(=O)OC negative Genotoxic In vivo genotoxins and/or carcinogens negative or equivocal in Ames Probable aneugens "+ve for MN in bone marrow, blood, in duodenum and colon, +ve for CA" "+ve for MN, MLA" Carcinogenicity not established IARC Group 3 MoA: aneugen 51-21-8 5-Fluorouracil DTXSID2020634 FC1=CNC(=O)NC1=O GHASVSINZRGABV-UHFFFAOYSA-N FC1C=NC(=O)NC1=O negative Genotoxic In vivo genotoxins and/or carcinogens negative or equivocal in Ames Non-aneugens "+ve for MN, –ve for comets in liver and stomach" "+ve for CA and MN, but –ve for gene mutations" "Lung and lymphoreticular tumours in mice after ip dosing, but –ve in mice after ip dosing, but –ve in rats. IARC Group 3" MoA: nucleoside analogue 7784-46-5 Sodium arsenite DTXSID5020104 [Na+].[O-][As]=O PTLRDCMBXHILCL-UHFFFAOYSA-M Not available negative Genotoxic In vivo genotoxins and/or carcinogens negative or equivocal in Ames Non-aneugens +ve for MN "+ve for structual and numerical CA, MN at low concentrations, and MLA" "Carcinogenicity to expreimental animlas is considered ""sufficient"". IARC Group 1 carcinogen" Inorganic carcinogen MoA: possible oxidant or repair inhibitor 7177-48-2 Ampicillin trihydrate DTXSID9020083 O.O.O.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O RXDALBZNGVATNY-CWLIKTDRSA-N CC1(C)SC2C(NC(=O)C(N)C3=CC=CC=C3)C(=O)N2C1C(O)=O negative Not genotoxic Non-carcinogens with negative in vivo genotoxicity data Not applicable ?ve for MN "?ve for MLA up to 5000 ?g/ml, but re-evaluated “uninterpretable”, ?ve for CA up to 1500 ?g/ml and up to 10 mg/ml, +ve for CA at concs higher than therapeuric plasma concs" ?ve in rats and mice ?ve in vivo MN used 2 different protocols up to 5 g/kg. 122852-42-0 Alosetron DTXSID6044278 CN1C2=C(C3=CC=CC=C13)C(=O)N(CC1=C(C)N=CN1)CC2 JSWZEAMFRNKZNL-UHFFFAOYSA-N CN1C2=C(C3=CC=CC=C13)C(=O)N(CC1=C(C)N=CN1)CC2 negative Not genotoxic Non-carcinogens with negative in vivo genotoxicity data Not applicable "–ve for in vivo cytogenetics in 2 rate bone marrow MN studies: (1) up to 40 mg/kg 1 x po (2) up to 12.5 mg/kg 1 x iv, –be for rat liver UDS (up to 100 mg/kg single po)" –ve for MLA (up to 500 ug/ml) and CA (hum lympocytes up to 1000 ug/ml) ?ve in rats and mice Not applicable 69-65-8 D-Mannitol DTXSID1023235 OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO FBPFZTCFMRRESA-KVTDHHQDSA-N OCC(O)C(O)C(O)C(O)CO negative Not genotoxic Non-carcinogens with negative in vivo genotoxicity data Not applicable –ve for MN and CA "–ve for CA and MLA up to 5000 ug/ml, but MLA re-evaluated ""uninterpretable""" ?ve in rats and mice Not applicable 124937-51-5 Tolterodine DTXSID3023687 CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(O)C=CC(C)=C1)C(C)C OOGJQPCLVADCPB-HXUWFJFHSA-N CC(C)N(CCC(C1=CC=CC=C1)C1=C(O)C=CC(C)=C1)C(C)C negative Not genotoxic Non-carcinogens with negative in vivo genotoxicity data Not applicable "_ve for in vivo cytogenetics (mouse bone marrow MN, up to 150 mg/kg 2 x oral dose; 24, 48 h sampling" –ve for MLA (up to 2160 ug/ml) and CA (human lumpjhocytes up to 506 ug/ml) ?ve in rats and mice Not applicable 999-81-5 Chlormequat chloride DTXSID6020303 [Cl-].C[N+](C)(C)CCCl UHZZMRAGKVHANO-UHFFFAOYSA-M C[N+](C)(C)CCCl negative Not genotoxic Non-carcinogens with negative in vivo genotoxicity data Not applicable "–ve for CA in rat bone marrow celle at 125, 250 or 500 mg/kg with harvest times of 12, 24, or 48h" "–ve for CA up to 5000 ug/ml and MLA, but re-evaluated ""uniterpretable""" ?ve in rats and mice Not applicable 15307-79-6 Diclofenac sodium DTXSID3037208 [Na+].[O-]C(=O)CC1=C(NC2=C(Cl)C=CC=C2Cl)C=CC=C1 KPHWPUGNDIVLNH-UHFFFAOYSA-M OC(=O)CC1=C(NC2=C(Cl)C=CC=C2Cl)C=CC=C1 negative Not genotoxic Non-carcinogens with negative in vivo genotoxicity data Not applicable "–ve in vivo cytogenetics. According to FDA, mice were dosed 2x orally, 24 h apart, and bone marrow sampled for MN 24 h after 2nd dose, top dose was MTD (3/12 died), 1000 PCE/animal scored, no bone marrow toxicity but other tox and TK studies indicate good systemic exposure in rodents after oral dosing; –ve for MN" "–ve for CA, MLA, HPRT, according to FDA data, CHO/HPRT was –ve – and + S9 at concentrations inducing 75–80% toxicity, CA was –ve in rat lymphocytes, 2 h +S9 or 17 h – S9, realtive survival reduced 25 & 56% respectively and MI reduced 38 & 64% respectively, not clear how many cells scored" –ve carcinogen in rats and mice. According to FDS data these were 24 month studies data available on FDA website 68291-97-4 Zonisamide DTXSID9046023 NS(=O)(=O)CC1=NOC2=C1C=CC=C2 UBQNRHZMVUUOMG-UHFFFAOYSA-N NS(=O)(=O)CC1=NOC2=C1C=CC=C2 negative Not genotoxic Non-carcinogens with negative in vivo genotoxicity data Not applicable "–ve for mouse bone marrow CA (up to 900 mg/kg single oral dose; 8. 24, 48 h sampling)" "–ve for MLA (up to 2120 ug/ml), CA in human lymphocytes (up to 2120 ug/ml and V79 cells), SCE in V79 cells, questionable +ve for HPRT in V79 cells (statistically significant +ve only —S9, no dose-response, very log negative control, biological significance is questionable)" ?ve in rats and mice Not applicable 109-69-3 1-Chlorobutane DTXSID8020206 CCCCCl VFWCMGCRMGJXDK-UHFFFAOYSA-N CCCCCl negative Not genotoxic Non-carcinogens with no in vivo genotoxicity data Not applicable Not available "–ve for 6/7 MLA trials, but re-evaluated as ""uninterpretable"", –ve for CA up 5000 ug/ml and for MN at 24h-S9" ?ve in rats and mice Not applicable 1212-29-9 "N,N'-Dicyclohexylthiourea" DTXSID9020451 S=C(NC1CCCCC1)NC1CCCCC1 KAJICSGLHKRDLN-UHFFFAOYSA-N S=C(NC1CCCCC1)NC1CCCCC1 negative Not genotoxic Non-carcinogens with no in vivo genotoxicity data Not applicable Not available "–ve for MLA up to 90% toxicity, but re-evaluated as ""uninterpretable"",–ve for CA to 1600 ug/mgl" ?ve in rats and mice Not applicable 134-72-5 Ephedrine sulfate DTXSID6020565 OS(O)(=O)=O.CN[C@@H](C)[C@H](O)C1=CC=CC=C1.CN[C@@H](C)[C@H](O)C1=CC=CC=C1 CAVQBDOACNULDN-KHFUBBAMSA-N CNC(C)C(O)C1=CC=CC=C1 negative Not genotoxic Non-carcinogens with no in vivo genotoxicity data Not applicable Not available "–ve for MLA up to 90% toxicity, but re-evaluated as ""uninterpretable"", –ve for CA up to 30% toxicity" ?ve in rats and mice It is possible that sales restrictions may apply to ephedrine sulphate Not applicable 134-71-4 "Benzenemethanol, .alpha.-[(1R)-1-(methylamino)ethyl]-, hydrochloride (1:1), (.alpha.S)-rel-" DTXSID00889337 Cl.CN[C@H](C)[C@@H](O)C1=CC=CC=C1 BALXUFOVQVENIU-GHXDPTCOSA-N CNC(C)C(O)C1=CC=CC=C1 negative Not genotoxic Non-carcinogens with no in vivo genotoxicity data Not applicable Not available "–ve for MLA up to 90% toxicity, but re-evaluated as ""uninterpretable"", –ve for CA up to 30% toxicity" ?ve in rats and mice It is possible that sales restrictions may apply to ephedrine sulphate Not applicable 114-07-8 Erythromycin DTXSID4022991 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ULGZDMOVFRHVEP-RWJQBGPGSA-N CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O negative Not genotoxic Non-carcinogens with no in vivo genotoxicity data Not applicable Not available "?ve for MLA up to 90% toxicity, but +ve at >90% toxicity, re-evaluated as ""uninterpretable"", –ve for CA up to 500 ug/ml" ?ve in rats and mice Not applicable 643-22-1 Erythromycin stearate DTXSID0020571 CCCCCCCCCCCCCCCCCC([O-])=O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)[NH+](C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O YAVZHCFFUATPRK-YZPBMOCRSA-N CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O negative Not genotoxic Non-carcinogens with no in vivo genotoxicity data Not applicable Not available "?ve for MLA up to 90% toxicity, but +ve at >90% toxicity, re-evaluated as ""uninterpretable"", –ve for CA up to 500 ug/ml" ?ve in rats and mice Not applicable 834-28-6 Phenformin hydrochloride DTXSID0021121 Cl.NC(=N)NC(=N)NCCC1=CC=CC=C1 YSUCWSWKRIOILX-UHFFFAOYSA-N NC(=N)NC(=N)NCCC1=CC=CC=C1 negative Not genotoxic Non-carcinogens with no in vivo genotoxicity data Not applicable Not available """Uninterpretable"" for MLA in the re-evaluation and –ve for CA at 50% toxicity" ?ve in rats and mice Not applicable 61-82-5 Amitrole DTXSID0020076 NC1=NNC=N1 KLSJWNVTNUYHDU-UHFFFAOYSA-N NC1=NNC=N1 negative Not genotoxic Non-genotoxic carcinogens Not applicable ?ve for MN and CA ?ve for MLA and CA Thyroid and liver tumours due to hormonal effects and prolactin secretion. IARC Group 3 Not applicable 111-42-2 Diethanolamine DTXSID3021932 OCCNCCO ZBCBWPMODOFKDW-UHFFFAOYSA-N OCCNCCO negative Not genotoxic Non-genotoxic carcinogens Not applicable –ve for MN "–ve for MLA, but re-evaluated as ""uninterpretable"", –ve for CA" Tumours of mouse liver and renal tubules due to chlorine deficiency. IARC Group 2B carcinogen Not applicable 67-72-1 Hexachloroethane DTXSID7020689 ClC(Cl)(Cl)C(Cl)(Cl)Cl VHHHONWQHHHLTI-UHFFFAOYSA-N ClC(Cl)(Cl)C(Cl)(Cl)Cl negative Not genotoxic Non-genotoxic carcinogens Not applicable –ve for MN –ve for MN and CA Tumours due to alpha-2u-globulin in rat kidney: promotion in mouse liver; does induce DNA adducts but not strand breaks in mouse liver IARC Group 2B carcinogen Not applicable 5989-27-5 D-Limonene DTXSID1020778 CC(=C)[C@@H]1CCC(C)=CC1 XMGQYMWWDOXHJM-JTQLQIEISA-N CC(=C)C1CCC(C)=CC1 negative Not genotoxic Non-genotoxic carcinogens Not applicable –ve for transgenic mutations and for comet in kidney cells "–ve for CA, but technically compromised MLA, but re-evaluated as ""uninterpretable""" Male rat kidney tumours due to alpha-2u-globulin nephropathy. IARC Group 3 Not applicable 108-78-1 Melamine DTXSID6020802 NC1=NC(N)=NC(N)=N1 JDSHMPZPIAZGSV-UHFFFAOYSA-N NC1=NC(N)=NC(N)=N1 negative Not genotoxic Non-genotoxic carcinogens Not applicable –ve for MN "–ve for MLA, but re-evaluated as ""uninterpretable"", –ve or CA" Bladder and ureteral carcinomas due to calculus formation. IARC Group 3 Not applicable 598-55-0 Methyl carbamate DTXSID8020834 COC(N)=O GTCAXTIRRLKXRU-UHFFFAOYSA-N COC(N)=O negative Not genotoxic Non-genotoxic carcinogens Not applicable –ve for MN "–ve for MLA, but re-evaluated as ""uninterpretable"", –ve for CA in CHO cells" Liver tumours in rats due to the inflammation and hyperplasia resulting from bioaccumulation (poor clearance). IARC Group 3 Not applicable 110-86-1 Pyridine DTXSID9021924 C1=CC=NC=C1 JUJWROOIHBZHMG-UHFFFAOYSA-N C1=CC=NC=C1 negative Not genotoxic Non-genotoxic carcinogens Not applicable –ve for MN and UDS "–ve for MLA, but re-evaluated as ""uninterpretable"", –ve for CA" "Renal tubule carcinogen of F344 rats, strain specific effects for tumourigenicity. IARC Group 3" Not applicable 688046-61-9 Pyriofenone DTXSID8058162 COC1=C(OC)C(OC)=C(C(=O)C2=C(C)C(Cl)=CN=C2OC)C(C)=C1 NMVCBWZLCXANER-UHFFFAOYSA-N COC1=C(OC)C(OC)=C(C(=O)C2=C(C)C(Cl)=CN=C2OC)C(C)=C1 negative Not genotoxic Non-genotoxic carcinogens Not applicable "–ve for MN in CD -1 mice PCE, for UDS in rat hepatocytes; for comet in mouse liver" –ve for CA in CHL cells and MLA "Weak hepato-carcinogen in F344 rats, –ve in mice" Not applicable 91374-21-9 Ropinirole DTXSID8045195 CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1 UHSKFQJFRQCDBE-UHFFFAOYSA-N CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1 negative Not genotoxic Non-genotoxic carcinogens Not applicable –ve for MLA (up to 5000 ug/ml) and CA (human lymphocytes up to 5000 ug/ml) +ve rats and mice Non-genotoxic MoA without clinical relevance +ve rats and mice Non-genotoxic MoA without clinical relevance Not applicable 287714-41-4 Rosuvastatin DTXSID8048492 CC(C)C1=C(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)C(=NC(=N1)N(C)S(C)(=O)=O)C1=CC=C(F)C=C1 BPRHUIZQVSMCRT-VEUZHWNKSA-N CC(C)C1=NC(=NC(C2=CC=C(F)C=C2)=C1C=CC(O)CC(O)CC(O)=O)N(C)S(C)(=O)=O negative Not genotoxic Non-genotoxic carcinogens Not applicable "–ve in vivo cytogenetics (mouse bone marrow MN, up to 1000 mg/kg 1 x po or up to 500 mg/kg 2x po)" –ve for MLA (up to 4000 ug/ml) and CA (human lumphocytes up to 1000 ug/ml) "–ve rats and mice Non-genotoxic, class– and rodent-specific MoA without clinical relevance" Not applicable 75-65-0 tert-Butyl alcohol DTXSID8020204 CC(C)(C)O DKGAVHZHDRPRBM-UHFFFAOYSA-N CC(C)(C)O negative Not genotoxic Non-genotoxic carcinogens Not applicable –ve for MN in blood after 90 days "–ve for MLA, but re-evaluated as ""uninterpretable"", –ve for CA" Kidney and bladder tumours due to mineralisation in kidney and bladder; NT TR 436 Not applicable 97240-79-4 Topiramate DTXSID8023688 CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 KJADKKWYZYXHBB-XBWDGYHZSA-N CC1(C)OC2COC3(COS(N)(=O)=O)OC(C)(C)OC3C2O1 negative Not genotoxic Non-genotoxic carcinogens Not applicable "–ve for in vivo cytogenetics (rat bone marrow CA, up to 1000 mg/kg single oral dose; 6, 24, 48 h sampling)" "–ve for MLA (up to 5000 ug/ml), CA (human lymphocytes up to 5000 g/mlb) and rat hepatocyte UDS (up to 2500 ug/ml)" "–ve in rats but +ve in mice (leiomyosarcoma, strain- and high dose specific)" Not applicable 78-42-2 Tris(2-ethylhexyl) phosphate DTXSID0021414 CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC GTVWRXDRKAHEAD-UHFFFAOYSA-N CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC negative Not genotoxic Non-genotoxic carcinogens Not applicable –ve for MN and CA "–ve for MLA, but re-evaluated as ""uninterpretable"", –ve for CA" "Liver tumours in femal mice, tumours due to peroxisome proliferation" Not applicable 107753-78-6 Zafirlukast DTXSID5023746 COC1=C(CC2=CN(C)C3=C2C=C(NC(=O)OC2CCCC2)C=C3)C=CC(=C1)C(=O)NS(=O)(=O)C1=CC=CC=C1C YEEZWCHGZNKEEK-UHFFFAOYSA-N COC1=C(CC2=CN(C)C3=C2C=C(NC(=O)OC2CCCC2)C=C3)C=CC(=C1)C(=O)NS(=O)(=O)C1=CC=CC=C1C negative Not genotoxic Non-genotoxic carcinogens Not applicable ve for in vivo cytogenetics 2 rat bone marrow MN studies: 1) up to 400 mg/kg 1x po: 2) upt to 2000 mg/kg 1 X po "–ve for MLA, CA (human lymphocytes up to 200 ug/ml; limit of solubility) and HPRT mutations (CHO cells, up to 40 ug/ml; cytotox at higher conc)" +ve rats and mice Non-genotoxic MoA without clinical relevance Not applicable 118-92-3 Anthranilic acid DTXSID8020094 NC1=C(C=CC=C1)C(O)=O RWZYAGGXGHYGMB-UHFFFAOYSA-N NC1=C(C=CC=C1)C(O)=O negative Not genotoxic Non-carcinogens that are negative or equivocal for genotoxicity in vivo Not applicable –ve for MN and CA and ?ve for comets in stomach and liver in JaCVAM trial "+ve for MLA, but re-evaluated as “uninterpretable”, +ve for CA at toxic concentrations, ?ve for HPRT mutation, +ve for MN above 4000 ?g/ml, but ?ve for MN in both p53-deficient hamster and p53-competent human cell types" ?ve in rats and mice. IARC Group 3 May be +ve at concentrations deemed excessively cytotoxic for the test system(s) 100-51-6 Benzyl alcohol DTXSID5020152 OCC1=CC=CC=C1 WVDDGKGOMKODPV-UHFFFAOYSA-N OCC1=CC=CC=C1 negative Not genotoxic Non-carcinogens that are negative or equivocal for genotoxicity in vivo Not applicable –ve for MN "Weak +ve for MLA and CA at very high concentrations (30–40 mM), but –ve for MN in both p53-deficient hamster and p53-competent human cells" –ve in rats and mice Not applicable 113-92-8 Chlorpheniramine maleate DTXSID4020321 OC(=O)\C=C/C([O-])=O.C[NH+](C)CCC(C1=CC=C(Cl)C=C1)C1=NC=CC=C1 DBAKFASWICGISY-BTJKTKAUSA-N CN(C)CCC(C1=CC=C(Cl)C=C1)C1=NC=CC=C1 negative Not genotoxic Non-carcinogens that are negative or equivocal for genotoxicity in vivo Not applicable –ve for MN in mice and rats using ip dosing "–ve for MLA, but re-evlauated as +ve, +ve for CA at concentrations that may be cytotoxic" –ve in rats and mice May be +ve at concentrations deemed excessively cytotoxic for the test system(s) 536-33-4 Ethionamide DTXSID0020577 CCC1=NC=CC(=C1)C(N)=S AEOCXXJPGCBFJA-UHFFFAOYSA-N CCC1=NC=CC(=C1)C(N)=S negative Not genotoxic Non-carcinogens that are negative or equivocal for genotoxicity in vivo Not applicable –ve for comets in liver and stomach in JaCVAM trial "Weaks +ve for MLA at 70-90% toxicity, but re-evlauated as ""uninterpretable"", weak +ve for CA in CHO cells at 5–8 mM with precipitate and in CHL cells at 2.4 mM, but –ve for MN in both p53-deficient hamster and p53-competent human cell types" "–ve in rate; possible thyroid tumours in mice, IARC Group 3" May be +ve at concentrations deemed excessively cytotoxic for the test system(s) or a precipitating concentrations 94-96-2 "2-Ethyl-1,3-hexanediol" DTXSID4025292 CCCC(O)C(CC)CO RWLALWYNXFYRGW-UHFFFAOYSA-N CCCC(O)C(CC)CO negative Not genotoxic Non-carcinogens that are negative or equivocal for genotoxicity in vivo Not applicable –ve for MN and CA "+ve for CA +S9 at high concentrations, –ve for MLA and HPRT mutations, –ve for MN in both p53-deficient hamster and p53-competent human cells in" "–ve in mice, not tested in rats" Not applicable 127-69-5 Sulfisoxazole DTXSID6021292 CC1=NOC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1C NHUHCSRWZMLRLA-UHFFFAOYSA-N CC1=NOC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1C negative Not genotoxic Non-carcinogens that are negative or equivocal for genotoxicity in vivo Not applicable –ve for MN and CA "–ve for CA, inconclusive in MLA or weakly +ve at <20% RTG, but re-evaluated as ""uninterpretable"", –ve for MN in p53-deficient hamster and p53-competent human cells" –ve in rats and mice IARC Group 3 May be +ve at concentrations deemed excessively cytotoxic for the test system 1948-33-0 tert-Butylhydroquinone DTXSID6020220 CC(C)(C)C1=CC(O)=CC=C1O BGNXCDMCOKJUMV-UHFFFAOYSA-N CC(C)(C)C1=CC(O)=CC=C1O negative Not genotoxic Non-carcinogens that are negative or equivocal for genotoxicity in vivo Not applicable "–ve for MN and CA, but boderline +ve for comets in liver in JaCVAM trial" "+ve for CA, but only where few cells could be scored (toxicity?), +ve for MN in p53-deficient hamster cells, but generally –ve in p53-competent human cells" –ve in rats and mice Likely to be +ve through induction of oxidative stress 57-13-6 Urea DTXSID4021426 NC(N)=O XSQUKJJJFZCRTK-UHFFFAOYSA-N NC(N)=O negative Not genotoxic Non-carcinogens with no or limited in vivo genotoxicity data Not applicable +ve in alkaline comet assay at 600 mOsmol/kg "+ve for CA, inconclusive for MLA, but +ve at >10mM, –ve for MN in p53-deficient hamster and p53-competent human cell types" –ve in rats and mice Not applicable 128-44-9 Sodium saccharin DTXSID5021253 [Na+].O=C1[N-]S(=O)(=O)C2=CC=CC=C12 WINXNKPZLFISPD-UHFFFAOYSA-M O=C1NS(=O)(=O)C2=C1C=CC=C2 negative Not genotoxic Non-genotoxic carcinogens or carcinogenic by irrelevant (for humans) mechanism Not applicable "Mainly –ve for CA, –ve for transgenic mutations, saccharin (81-07-2) was –ve for comets in stomach and liver in JaCVAM trial" "–ve for MLA, but +ve CA at 8000 ug/ml, –ve for MN in p53-deficient hamster and p53-competent human cells" "Rat and mouse bladder tumours, tumours due to ionic imblance and mycrocrystalline deposits" Not applicable