CASEINECSJRC CODEChemical NameSMILES
100-25-4202-833-71,4-Dinitrobenzene[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-]
10108-64-2233-296-7Cadmium Chloride[Cd](Cl)Cl
103-90-2203-157-54-Acetamidophenolc1(ccc(cc1)O)NC(=O)C
105-45-3203-299-8Methyl AcetoacetateCOC(=O)CC(=O)C
10540-29-1234-118-0TamoxifenC(=C(/c1ccccc1)CC)(\c1ccc(OCCN(C)C)cc1)c1ccccc1
106-48-9203-402-64-ChlorophenolOc1ccc(Cl)cc1
106-89-8203-439-8Oxirane, 2-(Chloromethyl)-ClCC1CO1
10605-21-7234-232-0Carbamic Acid, N-1h-Benzimidazol-2-Yl-, Methyl EsterCOC(=O)Nc1nc2ccccc2[nH]1
109-86-4203-713-7Ethanol, 2-Methoxy-COCCO
11018-89-6-OuabainC12([C@@H]3C(C4(C(C[C@H]3O)([C@H](CC4)C3=CC(=O)OC3)C)O)CCC1(C[C@H](C[C@H]2O)OC1C(C(C(C(O1)C)O)O)O)O)CO.O.O.O.O.O.O.O.O
115-09-3204-064-2Mercury, Chloromethyl- (8ci,9ci)C[Hg]Cl
117-81-7204-211-0Dioctyl PhthalateCCCCC(CC)COC(=O)C1=C(C=CC=C1)C(=O)OCC(CC)CCCC
118949-22-7-Vorozolec1([C@@H](n2cncn2)c2ccc(cc2)Cl)ccc2nnn(c2c1)C
118968-41-5-Org31710O1[C@@]2(CCC1)CC[C@@H]1[C@]2(C)C[C@H](c2ccc(cc2)N(C)C)C2=C3C([C@@H](C[C@@H]12)C)=CC(CC3)=O
120-83-2204-429-6Phenol, 2,4-Dichloro-Oc1ccc(Cl)cc1Cl
125-84-8204-756-4AminoglutethimideCCC1(CCC(=O)NC1=O)c2ccc(N)cc2
127-07-1204-821-7HydrixycarbamideNC(=O)NO
129453-61-8-Fulvestrantc1cc2c(cc1O)C[C@@H](CCCCCCCCC[S@@](CCCC(C(F)(F)F)(F)F)=O)[C@H]1[C@H]3[C@](C)(CC[C@H]21)[C@@H](O)CC3
129731-10-8-Vorozole[C@@H](c1cc2c(cc1)nnn2C)(c1ccc(cc1)Cl)n1cncn1
13311-84-7236-341-9FlutamideCC(C)C(=O)NC1=CC(=C(C=C1)[N](=O)=O)C(F)(F)F
1397-94-0-Antimycin-AC1([C@@H]([C@H]([C@@H](OC(=O)[C@H]([C@H](O1)C)NC(c1c(c(ccc1)NC=O)O)=O)C)OC(CC(C)C)=O)CCCCCC)=O
1405-41-0215-778-9Gentamicin, Sulfate (Salt)CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H]2O)OC[C@]1(C)O
148-18-5205-710-6Sodium Diethyldithiocarbamate[Na+].CCN(CC)C(=S)[S-]
148-82-3205-726-3MelphalanN[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O
15663-27-1239-733-8Platinum, Diamminedichloro-, (Sp-4-2)-[Pt+2]([NH3])([Cl-])([Cl-])[NH3]
15687-27-1239-784-6Benzeneacetic Acid, α-Methyl-4-(2-Methylpropyl)-CC(C)Cc1ccc(cc1)C(C)C(=O)O
17230-88-5241-270-1DanazolC[C@]12Cc3cnoc3C=C1CC[C@@H]4[C@@H]2CC[C@@]5(C)[C@H]4CC[C@@]5(O)C#C
1806-26-4217-302-5Phenol, 4-Octyl-CCCCCCCCc1ccc(O)cc1
1836-75-5217-406-0Benzene, 2,4-Dichloro-1-(4-Nitrophenoxy)-[O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
1912-24-9217-617-8AtrazineCCNc1nc(Cl)nc(NC(C)C)n1
2079-89-2218-208-7Bis(3-Aminopropiononitrile) FumarateNCCC#N.NCCC#N.OC(=O)\C=C\C(=O)O
23214-92-8245-495-6DoxorubicinCOc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
26571-11-9247-816-526-(Nonylphenoxy)-3,6,9,12,15,18,21,24-Octaoxahexacosan-1-OlCCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1
26628-22-8247-852-1Sodium Azide (Na(N3))[N-]=[N+]=[N-].[Na+]
302-79-4206-129-0TretinoinC\C(=C/C=C/C(=C/C(=O)O)/C)\C=C\C1=C(C)CCCC1(C)C
303-45-7-Gossypolc1(c(c2c(cc1C)c(c(c(c2C=O)O)O)C(C)C)O)c1c(c2c(c(c(c(c2C=O)O)O)C(C)C)cc1C)O
303-47-9206-143-7Ochratoxin A (7ci)C[C@@H]1CC2=C(Cl)C=C(C(=O)N[C@@H](CC3=CC=CC=C3)C(O)=O)C(O)=C2C(=O)O1
31430-18-9250-626-5NocodazoleCOC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3cccs3
330-55-2206-356-5LinuronCON(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1
33069-62-4608-826-9Benzenepropanoic Acid, ?-(Benzoylamino)-?-Hydroxy-, (2ar,4s,4as,6r,9s,11s,12s,12ar,12bs)-6,12b-Bis(Acetyloxy)-12-(Benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-Dodecahydro-4,11-Dihydroxy-4a,8,13,13-Tetramethyl-5-Oxo-7,11-Methano-1h-Cyclodeca[3,4]Benz[1,2-BCC(=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
361-09-1206-643-5Sodium CholateC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
36322-90-4252-974-3PiroxicamCN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ccccn3
3810-74-0223-286-0Streptomycin SulphateCN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O
4376-20-9224-477-1Phthalic Acid, Mono-2-Ethyl Hexyl EsterCCCCC(CC)COC(=O)c1ccccc1C(O)=O
446-72-0207-174-9 GenisterinOc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O
481-30-1-EpitestosteroneC1[C@@H]2[C@@H]([C@@]3(C(=CC(=O)CC3)C1)C)CC[C@@]1([C@H]2CC[C@H]1O)C
4901-51-3225-531-72,3,4,5-TetrachlorophenolOc1cc(Cl)c(Cl)c(Cl)c1Cl
50-02-2200-003-9Dexamethasone[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
50-07-7200-008-6MitomycinCO[C@]12[C@H]3N[C@H]3CN1C4=C([C@H]2COC(=O)N)C(=O)C(=C(C)C4=O)N
50-22-6200-019-6Corticosterone[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
50-28-2200-023-8Estradiol[C@H]12[C@H]3[C@@H](c4c(CC3)cc(cc4)O)CC[C@@]1([C@H](CC2)O)C
50-32-8200-028-5Benzo[Def]Chrysenec1ccc2c(c1)cc3ccc4cccc5ccc2c3c45
50471-44-8256-599-6VinclozolinCC1(OC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1)C=C
51-21-8200-085-6FluorouracilFC1=CNC(=O)NC1=O
51-28-5200-087-72,4-Dinitrophenolc1(cc(ccc1O)[N+](=O)[O-])[N+](=O)[O-]
52-67-5200-148-8PenicillamineCC(C)(S)[C@@H](N)C(O)=O
521-11-9208-302-6Mestanolone[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C
521-18-6208-307-3Androstanolone[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C
52806-53-8-Hydroxyflutamidec1c(C(F)(F)F)c([N+](=O)[O-])ccc1NC(=O)C(O)(C)C
53-86-1200-186-5IndometacinCOc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
531-95-3208-522-2(S)-3,4-Dihydro-3-(4-Hydroxyphenyl)-2h-1-Benzopyran-7-OlC1[C@H](c2ccc(cc2)O)Cc2ccc(cc2O1)O
54-31-9200-203-6FurosemideNS(=O)(=O)c1cc(C(=O)O)c(NCc2occc2)cc1Cl
54-36-4200-206-2MetyraponeCC(C)(C(=O)c1cccnc1)c2cccnc2
55-29-3-DDT (P,P'-DDT)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C(Cl)(Cl)Cl
55-98-1200-250-2BusulfanC[S](=O)(=O)OCCCCO[S](C)(=O)=O
56-53-1200-278-5DiethylstilbestrolCC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
56092-82-1611-357-2Ionomycin[Ca+2].C(=O)(CC[C@H](C[C@H](C)C[C@@H](C(\C=C(\[C@H](C)C[C@@H](C\C=C\[C@H]([C@H]([C@H]([C@H](C[C@@H]1CC[C@@](O1)([C@@H]1O[C@@](CC1)([C@@H](C)O)C)C)O)C)O)C)C)[O-])=O)C)C)[O-]
562-10-7209-228-7Doxylamine Hydrogen SuccinateCN(C)CCOC(C)(c1ccccc1)c2ccccn2.OC(=O)CCC(=O)O
57-63-6200-342-2Ethinylestradiol[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
57-83-0200-350-6Progesterone[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
58-08-2200-362-1CaffeineO=C1C2=C(N=CN2C)N(C(=O)N1C)C
58-18-4200-366-3Methyltestosterone[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
58-22-0200-370-5Testosterone[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
58-55-9200-385-7TheophyllineO=C2C=1/N=C\NC=1N(C)C(=O)N2C
58-89-9200-401-2LindaneCl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl
592-62-1209-765-7(Methyl-Onn-Azoxy)Methyl AcetateCC(=O)OCN=[N+](C)[O-]
60-51-5200-480-3DimethoateCNC(=O)CSP(=S)(OC)OC
608-73-1210-168-9HCHClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl
61-25-6200-502-1Papaverine Hydrochloridec12c(cc(c(c2)OC)OC)ccnc1Cc1cc(c(cc1)OC)OC.Cl
625-45-6210-894-6Methoxyacetic AcidCOCC(=O)O
627-03-2210-978-2Ethoxyacetic AcidCCOCC(=O)O
63-05-8200-554-5Androst-4-Ene-3,17-Dione[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
631-64-1211-165-5Dibromoacetic AcidOC(=O)C(Br)Br
637-07-0211-277-4ClofibrateCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
64-17-5200-578-6EthanolC(C)O
64-67-5200-589-6Diethyl SulphateCCOS(=O)(=O)OCC
64-86-8200-598-5ColchicineCOC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=CC(=O)C(OC)=CC=C23)=C1
65277-42-1265-667-4KetoconazoleCC(=O)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1
66-27-3200-625-0Methyl MethanesulphonateCOS(=O)(=O)C
66-81-9200-636-0Cicloheximide[H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1
67-64-1200-662-2AcetoneCC(=O)C
67-68-5200-664-3Dimethyl SulfoxideCS(=O)C
67747-09-5266-994-5ProchlorazCCCN(CCOC1=C(Cl)C=C(Cl)C=C1Cl)C(=O)N1C=CN=C1
68-23-5200-682-1Noretynodrel[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])CC(=O)CC3
68047-06-3-Trans-4-Hydroxytamoxifenc1c(O)ccc(\C(c2ccc(cc2)OCCN(C)C)=C(\c2ccccc2)CC)c1
69-57-8200-710-2Sodium [2s-(2?,5?,6?)]-3,3-Dimethyl-7-Oxo-6-(Phenylacetamido)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate[Na+].CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-]
69-72-7200-712-3Salicylic AcidOC(=O)c1ccccc1O
70-30-4200-733-8HexachloropheneOC1=C(Cl)C=C(Cl)C(Cl)=C1CC1=C(Cl)C(Cl)=CC(Cl)=C1O
71-43-2200-753-7Benzenec1ccccc1
7232-21-5230-634-54-Amino-5-Chloro-N-[2-(Diethylamino)Ethyl]-2-Methoxybenzamide MonohydrochlorideCl.CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
7447-41-8231-212-3Lithium Chloride[Li+].[Cl-]
75330-75-5616-212-7LovastatinCC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
7646-85-7231-592-0Zinc Chloride[Zn](Cl)Cl
7647-14-5231-598-3Sodium Chloride[Na+].[ClH-]
7681-49-4231-667-8Sodium FluorideF[Na]
77-21-4201-012-0GlutethimideCCC1(CCC(=O)NC1=O)C1=CC=CC=C1
77182-82-2278-636-5 Glufosinate-ammoniumP(=O)(CCC(C(=O)[O-])N)(C)O.[NH4+]
7790-78-5-Cadmium Chloride[ClH-].[ClH-].[Cd+2]
789-02-6212-332-5o,p'-DDTClc1ccc(cc1)C(c2ccccc2Cl)C(Cl)(Cl)Cl
79-43-6201-207-0Dichloroacetic AcidOC(=O)C(Cl)Cl
797-63-7212-349-8Levonorgestrel[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
80-05-7201-245-8Bisphenol AC(C1C=CC(=CC=1)O)(C2=CC=C(C=C2)O)(C)C
8001-54-5616-786-9Quaternary Ammonium Compounds, Alkylbenzyldimethyl, Chloridesc1(C[N+](C)(C)*)ccccc1.[ClH-]
81-25-4201-337-8Cholic AcidC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
81-81-2201-377-6WarfarinC1=CC=C3C(=C1)OC(=O)C(C(CC(C)=O)C2=CC=CC=C2)=C3O
81131-70-6617-202-51-Naphthaleneheptanoic Acid, 1,2,6,7,8,8a-Hexahydro-?,?,6-Trihydroxy-2-Methyl-8-[(2s)-2-Methyl-1-Oxobutoxy]-, Sodium Salt (1:1), (?R,?R,1s,2s,6s,8s,8ar)-O=C([C@@H](C)CC)O[C@@H]1[C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC([O-])=O)=C[C@@H](O)C1.[Na+]
82640-04-8-Raloxifene Hydrochloridec1(c(c2ccc(O)cc2)sc2c1ccc(c2)O)C(c1ccc(OCCN2CCCCC2)cc1)=O.Cl
84-16-2201-518-1 HexestrolCC[C@@H]([C@@H](CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
84-74-2201-557-4Dibutyl PhthalateCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCC
84371-65-3617-559-7Mifepristone[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H]
84852-15-3284-325-5Phenol, 4-Nonyl-, BranchedCC(C)CCCCCCc1ccc(O)cc1
87-86-5201-778-6PentachlorophenolOC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
88-85-7201-861-7Phenol, 2-(1-Methylpropyl)-4,6-Dinitro-CCC(C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
9002-93-1618-344-0Glycols, Polyethylene, Mono(P-(1,1,3,3-T = Octoxynol = Poly(Oxy-1,2-Ethanediyl), Alpha-(4-(1.1.3.3.-Tetramethyl-Butyl)Phenyl)-Omega-Hydroxy-c1cc(ccc1C(C)(CC(C)(C)C)C)OCCO
9041-93-4232-925-2Bleomycin SulfateS([O-])(=O)(=O)O.O1[C@H](O[C@@H]2[C@@H](O[C@H]([C@H]([C@@H]2O)O)CO)O[C@@H]([C@@H](C(N[C@@H]([C@@H]([C@@H](C(N[C@@H](C(=O)NCCc2nc(c3nc(C(=O)NCCC[S+](C)C)cs3)cs2)[C@@H](O)C)=O)C)O)C)=O)NC(c2nc([C@@H](CC(=O)N)NC[C@@H](C(=O)N)N)nc(c2C)N)=O)c2nc[nH]c2)[C@H]([C@H]([C@@H](O)[C@H]1CO)OC(N)=O)O
94-26-8202-318-7Butyl 4-HydroxybenzoateCCCCOC(=O)c1ccc(O)cc1
94105-90-5618-999-2EquolOc1ccc(cc1)C2COc3cc(O)ccc3C2
95-95-4202-467-82,4,5-TrichlorophenolOc1cc(Cl)c(Cl)cc1Cl
96-12-8202-479-31,2-Dibromo-3-ChloropropaneClCC(Br)CBr
96-24-2202-492-43-Chloropropane-1,2-DiolOCC(O)CCl
98-95-3202-716-0Nitrobenzene[O-][N+](=O)c1ccccc1
99-65-0202-776-81,3-Dinitrobenzene[O-][N+](=O)c1cccc(c1)[N+](=O)[O-]
99-66-1202-777-3Valproic AcidC(CCC)(CCC)C(O)=O