CASEINECSJRC CODEChemical NameSMILES
100-02-7202-811-7p-NitrophenolOc1ccc(cc1)[N+](=O)[O-]
100-51-6202-859-9Benzyl alcoholOCc1ccccc1
10108-64-2233-296-7Cadmium chloride[Cd](Cl)Cl
105650-23-5-2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridinec12c(nc(n2C)N)ncc(c1)c1ccccc1
106-47-8203-401-0p-chloroanilineNc1ccc(Cl)cc1
107753-78-6-ZafirlukastCc1ccccc1S(=O)(=O)NC(=O)c5ccc(Cc3cn(C)c2ccc(cc23)NC(=O)OC4CCCC4)c(OC)c5
108-46-3203-585-21,3-Dihydroxybenzene (resorcinol)Oc1cccc(O)c1
108-78-1203-615-4MelamineNc1nc(N)nc(N)n1
109-69-3203-696-6n-butyl chlorideCCCCCl
110-86-1203-809-9Pyridinec1ccncc1
111-42-2203-868-0DiethanolamineOCCNCCO
113-92-8204-037-5Chlorpheniramine maleateCN(C)CCC(c1ccc(Cl)cc1)c2ccccn2
114-07-8204-040-1ErythomycinCC[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]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
1162-65-8214-603-3Aflatoxin B1COc1cc2OC3OC=CC3c2c4OC(=O)C5=C(CCC5=O)c14
117-81-7204-211-0Di-(2-ethylhexyl)phthalateCCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC
118-92-3204-287-5o-Anthranilic acidNc1ccccc1C(=O)O
1212-29-9214-920-7N,N-dicyclohexyl thioureaS=C(NC1CCCCC1)NC2CCCCC2
122852-42-0-AlosteronCC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C
123-31-9204-617-8HydroquinoneOc1ccc(O)cc1
124-64-1204-707-7Tetrakis(hydroxymethyl) phosphonium chloride[Cl-].OC[P+](CO)(CO)CO
124937-51-5-TolterodineOc1ccc(C)cc1[C@H](CCN(C(C)C)C(C)C)c2ccccc2
127-69-5204-858-9SulfisoxazoleCc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C
128-44-9204-886-1Sodium saccharinO=C1NS(=O)(=O)c2ccccc12
134-71-4205-153-9Ephedrine hydrochlorideCNC(C)C(O)c1ccccc1
134-72-5205-154-4Ephidrine sulphateCN[C@@H](C)[C@H](O)c1ccccc1
140-88-5205-438-8Ethyl acrylateCCOC(=O)C=C
143-67-9205-606-0Vinblastine sulfateCC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1
147-94-4205-705-9Cytosine arabinosideNC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
15356-70-4239-388-3d,l-mentholCC(C)C1CCC(C)CC1O
15663-27-1239-733-8Cisplatin[Pt+2]([NH3])([Cl-])([Cl-])[NH3]
1948-33-0217-752-2Tertiary-butylhydroquinoneCC(C)(C)c1cc(O)ccc1O
287714-41-4-RosuvastatinCC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
30516-87-1-AzidothymidineCc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
33069-62-4608-826-9TaxolCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C
33419-42-0251-509-1EtoposideCOc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(O[C@@H]4O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]4O)c6cc7OCOc7cc26
50-07-7200-008-6Mitomycin CCO[C@]12[C@H]3N[C@H]3CN1C4=C([C@H]2COC(=O)N)C(=O)C(=C(C)C4=O)N
50-32-8200-028-5Benzo[a]pyrenec1ccc2c(c1)cc3ccc4cccc5ccc2c3c45
51-21-8200-085-65-FluorouracilFC1=CNC(=O)NC1=O
53-96-3200-188-62-Acetylaminofluorene CC(=O)Nc1ccc2c(Cc3ccccc23)c1
536-33-4208-628-9EthionamideCCc1cc(ccn1)C(=S)N
56-57-5200-281-14-Nitroquinoline-N-oxide[O-][N+](=O)c1cc[n+]([O-])c2ccccc12
57-13-6200-315-5UreaO=C(N)N
57-97-6200-359-57,12-DimethylbenzanthraceneCc1c2ccccc2c(C)c3c1ccc4ccccc34
598-55-0209-939-2Methyl carbamateCOC(=O)N
5989-27-5227-813-5D-limoneneCC(=C)[C@@H]1CCC(=CC1)C
6055-19-2-CyclophosphamideC1CNP(=O)(OC1)N(CCCl)CCCl.O
61-82-5200-521-5AmitroleNc1nnc[nH]1
62-75-9200-549-8DimethylnitrosamineCN(C)N=O
64-86-8200-598-5ColchicineCOC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=CC(=O)C(OC)=CC=C23)=C1
643-22-1211-396-1Erythromycin stearateCCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C
643-22-1211-396-1erythromycin stearateCCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C
66-27-3200-625-0MMSCOS(=O)(=O)C
67-72-1200-666-4HexachloroethaneClC(Cl)(Cl)C(Cl)(Cl)Cl
68291-97-4614-395-8Zonisamide NS(=O)(=O)Cc1noc2ccccc12
688046-61-9-PyriofenoneCC1=CC(=C(C(=C1C(=O)C2=C(C(=CN=C2OC)Cl)C)OC)OC)OC
69-65-8200-711-8D-mannitolOC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
7177-48-2615-347-9Ampicillin trihydrateCC1([C@@H](N2[C@H](S1)[C@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C.O.O.O
75-65-0200-889-7Tert-butyl alcoholCC(C)(C)O
759-73-9212-072-2ENUCCN(N=O)C(=O)N
76180-96-6-IQ (2-amino-3methylimidazo[4,5-f]quinoline)Nc3nc2c(ccc1ncccc12)n3C
7784-46-5232-070-5Sodium arsenite[Na]O[As]=O
78-42-2201-116-6Tris(2-ethylhexyl)phosphateCCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC
78-84-2201-149-6IsobutyraldehydeCC(C)C=O
834-28-6212-637-3Phenformin HClc1ccc(cc1)CCNC(=N)NC(=N)N.Cl
91374-21-9618-737-7RopiniroleCCCN(CCC)CCc1cccc2NC(=O)Cc12
94-96-2202-377-92-Ethyl-1,3-hexanediolCCC[C@@H](O)[C@H](CC)CO
95-80-7202-453-12,4-diaminotolueneCc1ccc(N)cc1N
97-53-0202-589-1EugenolCOc1cc(CC=C)ccc1O
97-77-8202-607-8Tetraethylthiuram disulfide [AKA disulfiram]CCN(CC)C(=S)SSC(=S)N(CC)CC
97240-79-4619-263-3TopiramateCC1(C)O[C@@H]2CO[C@@]3(COS(=O)(=O)N)OC(C)(C)O[C@H]3[C@@H]2O1
999-81-5213-666-4(2-chloroethyl)trimethyl-ammonium chlorideC[N+](C)(C)CCCl