CASEINECSJRC CODEChemical NameSMILES
101-72-4202-969-7N-isopropyl-N'-phenyl-p-phenylenediamineCC(C)NC1=CC=C(NC2=CC=CC=C2)C=C1
10108-64-2233-296-7Cadmium (II) chloride[Cd](Cl)Cl
102-76-1203-051-9Glycerol triacetateCC(=O)OCC(COC(C)=O)OC(C)=O
10262-69-8233-599-4MaprotilineCNCCCC12CCC(C3=CC=CC=C13)C1=C2C=CC=C1
103-90-2203-157-5Acetaminophenc1(ccc(cc1)O)NC(=O)C
1034-01-1213-853-0Octyl 3,4,5-trihydroxybenzoateCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1
10377-48-7233-820-4Lithium sulphate[O-]S([O-])(=O)=O.[Li+].[Li+]
1069-66-5213-961-8Sodium valproateC(CCC)(CCC)C(=O)[O-].[Na+]
107-02-8203-453-4AcroleinC=CC=O
107-21-1203-473-3Ethylene glycolOCCO
107-64-2203-508-2Dimethyldioctadecylammonium chlorideCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC
108-95-2203-632-7PhenolOc(cccc1)c1
109-16-0203-652-6Triethylene glycol dimethacrylateCC(=C)C(=O)OCCOCCOCCOC(=O)C(C)=C
1095-90-5214-140-7Methadone HydrochlorideCl.CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
110-16-7203-742-5Maleic acidO=C(O)C=CC(=O)O
111-46-6203-872-2Diethylene GlycolOCCOCCO
118-74-1204-273-9HexachlorobenzeneClc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
120-51-4204-402-9Benzyl benzoateO=C(OCc1ccccc1)c2ccccc2
121-75-5204-497-7MalathionCCOC(=O)CC(S[P](=S)(OC)OC)C(=O)OCC
121-87-9204-502-22-Chloro-4-nitroanilineNC1=C(Cl)C=C(C=C1)[N](=O)=O
123-63-7204-639-8ParaldehydeCC1OC(C)OC(C)O1
124-07-2204-677-5Caprylic acidO=C(O)CCCCCCC
129-00-0204-927-3PyreneC1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1
130-61-0204-992-8Thioridazine Hydrochloridec1cc2N(CC[C@@H]3[N@@](C)CCCC3)c3c(Sc2cc1)ccc(c3)SC.Cl
131-17-9205-016-3Diallyl phthalateC=CCOC(=O)C1=C(C=CC=C1)C(=O)OCC=C
1327-53-3215-481-4Arsenic trioxide (As2O3)-
13292-46-1236-312-0Rifampicin[H][C@]1(OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)\C=C\C=C(C)C(=O)NC2=C(\C=N\N3CCN(C)CC3)C(O)=C3C4=C(O[C@](C)(O\C=C\[C@H](OC)[C@H]1C)C4=O)C(C)=C(O)C3=C2O
1330-20-7215-535-7Xylenec1(ccccc1)C.C*
1338-39-2215-663-3Sorbitan monolaurateO1[C@@H]([C@H]([C@@H](O)C1)O)[C@H](COC(CCCCCCCCCCC)=O)O
13410-01-0236-501-8Sodium selenate[O-][Se](=O)(=O)[O-].[Na+].[Na+]
144-55-8205-633-8Sodium bicarbonateC(O)(=O)[O-].[Na+]
151-21-3205-788-1Sodium lauryl sulphateCCCCCCCCCCCCOS(=O)(=O)O[Na]
151-50-8205-792-3Potassium Cyanide (K(CN))[K]C#N
152-11-4205-800-5(±)-Verapamil Hydrochloridec1([C@@](CCC[N@@](CCc2cc(c(OC)cc2)OC)C)(C(C)C)C#N)cc(c(OC)cc1)OC.Cl
15663-27-1239-733-8cis-Diammineplatinum (II) dichloride[Pt+2]([NH3])([Cl-])([Cl-])[NH3]
1910-42-5217-615-7Paraquat Dichloridec1(c2cc[n+](C)cc2)cc[n+](C)cc1.[ClH-].[ClH-]
19774-82-4243-293-2Amiodarone Hydrochloridec1(c2c(cccc2)oc1CCCC)C(c1cc(c(OCC[NH+](CC)CC)c(c1)I)I)=O.[ClH-]
20830-75-5244-068-1DigoxinC[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:46|
2386-87-0219-207-4Diepoxide 126O=C(OCC1CCC2OC2C1)C1CCC2OC2C1
25646-77-9247-162-0(4-Ammonio-m-tolyl)ethyl(2-hydroxyethyl)ammonium sulphatec1(cc(c(cc1)N)C)N(CCO)CC.S(=O)(=O)(O)O
26761-40-0247-977-1Di-'isodecyl' phthalatec1(c(cccc1)C(OCCCCCCCC(C)C)=O)C(OCCCCCCCC(C)C)=O
298-46-4206-062-7CarbazepineNC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11|
302-17-0206-117-5Chloral Hydrate OC(O)C(Cl)(Cl)Cl
303-47-9206-143-7Ochratoxin A 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
318-98-9206-268-7(±)-Propranolol Hydrochloridec12c(OC[C@@H](CNC(C)C)O)cccc1cccc2.Cl
341-69-5206-435-4Orphenadrine Hydrochloridec1([C@@H](c2ccccc2)OCCN(C)C)c(cccc1)C.Cl
357-57-3206-614-7Brucine[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C7=CC(OC)=C(OC)C=C7[C@@]1(CC[N@]2C4)[C@]6([H])[C@@]35[H]
3737-09-5223-110-2Disopyramiden1ccccc1C(c2ccccc2)(C(=O)N)CCN(C(C)C)C(C)C
3926-62-3223-498-3Sodium salt of chloroacetic acid[O-]C(CCl)=O.[Na+]
439-14-5207-122-5DiazepamC=1(c2c(N(C)C(CN1)=O)ccc(c2)Cl)c1ccccc1
50-00-0200-001-8FormaldehydeC=O
50-06-6200-007-0PhenobarbitalCCC1(C(=O)NC(=O)NC1(=O))c2ccccc2
50-63-5200-055-2Chloroquine Bis(Phosphate)c1c(cc2c(c(ccn2)N[C@@H](CCCN(CC)CC)C)c1)Cl.P(=O)(O)(O)O.P(=O)(O)(O)O
50-78-2200-064-1Acetylsalicylic AcidO=C(Oc(c(ccc1)C(=O)O)c1)C
51-21-8200-085-65-FluorouracilFC1=CNC(=O)NC1=O
51-42-3200-097-1Epinephrine Hydrogen TartrateO[C@H]([C@@H](O)C(O)=O)C(O)=O.CNC[C@H](O)C1=CC(O)=C(O)C=C1
51-63-8200-111-6D-Amphetamine sulphateS(=O)(=O)(O)O.c1(C[C@@H](N)C)ccccc1.c1(C[C@@H](N)C)ccccc1
52-86-8200-155-6HaloperidolOC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
533-45-9208-565-7ChlormethiazoleCC1=C(CCCl)SC=N1
54-11-5200-193-3NicotineCN1CCC[C@H]1C1=CN=CC=C1
54-85-3200-214-6IsoniazidNNC(=O)c1ccncc1
549-18-8208-964-6Amitriptyline HydrochlorideCl.CN(C)CC\C=C1/c2ccccc2CCc3ccccc13
56-38-2200-271-7ParathionCCO[P](=S)(OCC)OC1=CC=C(C=C1)[N](=O)=O
56-55-3200-280-6Benz[a]anthracenec1ccc2cc3c(ccc4ccccc34)cc2c1
56-75-7200-287-4ChloramphenicolOC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N](=O)=O
56-81-5200-289-5GlycerolOCC(O)CO
57-13-6200-315-5UreaO=C(N)N
57-24-9200-319-7Strychnine[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C7=CC=CC=C7[C@@]1(CC[N@]2C4)[C@]6([H])[C@@]35[H]
57-33-0200-323-9Sodium PentobarbitalC1([C@@](C(N=C(N1)[O-])=O)([C@@H](CCC)C)CC)=O.[Na+]
57-41-0200-328-65,5-DiphenylhydantoinO=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3
57-47-6200-332-8Physostigmine[H][C@]12N(C)CC[C@@]1(C)C1=CC(OC(=O)NC)=CC=C1N2C
57-53-4200-337-5MeprobamateCCCC(C)(COC(N)=O)COC(N)=O
57-63-6200-342-217α-Ethynyloestradiol[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
58-08-2200-362-1CaffeineO=C1C2=C(N=CN2C)N(C(=O)N1C)C
58-55-9200-385-7TheophyllineO=C2C=1/N=C\NC=1N(C)C(=O)N2C
58-73-1200-396-7DiphenhydramineO(C(c(cccc1)c1)c(cccc2)c2)CCN(C)C
58-89-9200-401-2LindaneCl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl
5908-99-6611-792-8Atropine Sulfate MonohydrateC1[C@@H](C[C@@H]2CC[C@@H]1N2C)OC([C@@H](c1ccccc1)CO)=O.OS(=O)(O)=O.C1[C@@H](C[C@@H]2CC[C@@H]1N2C)OC([C@@H](c1ccccc1)CO)=O.O
59865-13-3611-907-1Cyclosporin A[H][C@]1(NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@]([H])(C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C1=O)C(C)C
60-00-4200-449-4Edetic acidO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
608-93-5210-172-0PentachlorobenzeneClc1cc(Cl)c(Cl)c(Cl)c1Cl
614-39-1210-381-7Procainamide HydrochlorideCl.CCN(CC)CCNC(=O)C1=CC=C(N)C=C1
62-73-7200-547-7DichlorvosCOP(=O)(OC)OC=C(Cl)Cl
634-66-2211-214-01,2,3,4-Tetrachlorobenzenec1(c(c(ccc1Cl)Cl)Cl)Cl
64-17-5200-578-6EthanolC(C)O
64-75-5200-593-8Tetracycline HydrochlorideCl.[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
64-86-8200-598-5ColchicineCOC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=CC(=O)C(OC)=CC=C23)=C1
6591-63-5-Quinidine SulfateS(O)(O)(=O)=O.O.O.[H][C@@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@@H](O)C1=CC=NC2=CC=C(OC)C=C12.[H][C@@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@@H](O)C1=CC=NC2=CC=C(OC)C=C12
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
67-56-1200-659-6MethanolOC
67-63-0200-661-7Isopropyl alcoholOC(C)C
67-66-3200-663-8ChloroformClC(Cl)Cl
68-12-2200-679-5DimethylformamideO=CN(C)C
68515-48-0271-090-91,2-Benzenedicarboxylic acidO=C(c1ccccc1C(=O)OCCCCCCCCC)OCCCCCCCCC
69-09-0200-701-3Chlorpromazine HydrochlorideN1(c2c(Sc3c1cccc3)ccc(c2)Cl)CCCN(C)C.Cl
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
7446-18-6231-201-3Thallium sulphate[Tl].OS(=O)(=O)O.[Tl]
7447-40-7231-211-8Potassium Chloride[K+].[ClH-]
7487-94-7231-299-8Mercury (II) chlorideCl[Hg]Cl
75-05-8200-835-2AcetonitrileCC#N
75-07-0200-836-8AcetaldehydeCC=O
75-09-2200-838-9DichloromethaneClCCl
75-91-2200-915-7Tert-Butyl HydroperoxideCC(C)(C)OO
76-57-3200-969-1CodeineCOc1ccc2CC5C3C=CC(O)C4Oc1c2C34CCN5C
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+]
7720-78-7231-753-5Ferrous SulfateO1S(=O)(=O)O[Fe]1
7778-80-5231-915-5Potassium sulfateS(=O)(=O)([O-])[O-].[K+].[K+]
79-06-1201-173-7AcrylamideNC(=O)C=C
79-94-7201-236-92,2',6,6'-Tetrabromo-4,4'-isopropylidenediphenolOc(c(cc(c1)C(c(cc(c(O)c2Br)Br)c2)(C)C)Br)c1Br
81-14-1201-328-94'-Tert-butyl-2',6'-dimethyl-3',5'-dinitroacetophenoneCC(=O)C1=C(C)C(=C(C(=C1C)[N](=O)=O)C(C)(C)C)[N](=O)=O
81-81-2201-377-6WarfarinC1=CC=C3C(=C1)OC(=O)C(C(CC(C)=O)C2=CC=CC=C2)=C3O
85-00-7201-579-4Diquat DibromideC2Cn1(Br)ccccc1c3ccccn23Br
85-01-8201-581-5Phenanthrenec1ccc2c(c1)ccc3ccccc23
866-84-2212-755-5Tripotassium citrateC(CC(=O)[O-])(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+].[K+]
87-86-5201-778-6PentachlorophenolOC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
90-72-2202-013-92,4,6-Tris(dimethylaminomethyl)phenolOc(c(cc(c1)CN(C)C)CN(C)C)c1CN(C)C
9005-64-5500-018-3Tween 20-
92-43-3202-155-11-Phenyl-3-pyrazolidone O=C1CCN(N1)C1=CC=CC=C1
94-75-7202-361-12,4-Dichlorophenoxyacetic acidc1(c(cc(Cl)cc1)Cl)OCC(O)=O
95-50-1202-425-91,2-Dichlorobenzenec1(c(cccc1)Cl)Cl