CASEINECSChemical NameSMILES
100-52-7202-860-4BenzaldehydeO=Cc1ccccc1
100-97-0202-905-8MethenamineC1N2CN3CN1CN(C2)C3
10043-35-3233-139-2Boric acidOB(O)O
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 chloride[Cd](Cl)Cl
102-71-6203-049-8TriethanolamineN(CCO)(CCO)CCO
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
103-11-7203-080-72-Ethylhexyl acrylateCCCCC(CC)COC(=O)C=C
103-85-5203-151-21-Phenyl-2-thioureaNC(=S)Nc1ccccc1
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
10361-37-2233-788-1Barium chloride [Ba](Cl)Cl
10377-48-7233-820-4Lithium sulphate[O-]S([O-])(=O)=O.[Li+].[Li+]
105-39-5203-294-0Ethyl chloroacetateCCOC(=O)CCl
106-51-4203-405-2p-BenzoquinoneO=C1C=CC(=O)C=C1
1069-66-5213-961-8Sodium valproateC(CCC)(CCC)C(=O)[O-].[Na+]
107-02-8203-453-4Acrolein (Acryladehyde)C=CC=O
107-21-1203-473-3Ethylene glycolOCCO
107-64-2203-508-2Dimethyldioctadecylammonium chlorideC([N+](CCCCCCCCCCCCCCCCCC)(C)C)CCCCCCCCCCCCCCCCC.[ClH-]
108-46-3203-585-2ResorcinolOc1cccc(O)c1
108-95-2203-632-7PhenolOc(cccc1)c1
109-16-0203-652-6Triethylene glycol dimethacrylateCC(=C)C(=O)OCCOCCOCCOC(=O)C(C)=C
109-77-3203-703-2MalononitrileN#CCC#N
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
110-97-4203-820-9DiisopropanolamineCC(O)CNCC(C)O
111-46-6203-872-2Diethylene glycolOCCOCCO
112-07-2203-933-32-Butoxyethyl acetateCCCCOCCOC(C)=O
112-34-5203-961-62-(2-Butoxyethoxy)ethanolCCCCOCCOCCO
115-29-7204-079-4EndosulfanClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl |c:1|
118-74-1204-273-9HexachlorobenzeneClc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
120-51-4204-402-9Benzyl benzoateO=C(OCc1ccccc1)c2ccccc2
120-82-1204-428-01,2,4-TrichlorobenzeneClc1ccc(Cl)c(Cl)c1
121-75-5204-497-7MalathionCCOC(=O)CC(S[P](=S)(OC)OC)C(=O)OCC
121-87-9204-502-22-Chloro-4-nitroanilinec1(cc(c(N)cc1)Cl)[N+](=O)[O-]
12125-02-9235-186-4Ammonium chloride [NH4+].[Cl-]
122-99-6204-589-72-PhenoxyethanolOCCOc1ccccc1
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
1314-13-2215-222-5Zinc oxide[Zn]=O
1327-53-3215-481-4Arsenic oxide O1[As]2O[As]1O2
13292-46-1236-312-0Rifamycin[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
134-32-7205-138-71-NaphthalenamineNc1cccc2ccccc12
13410-01-0236-501-8Sodium selenate[O-][Se](=O)(=O)[O-].[Na+].[Na+]
141-97-9205-516-1Ethyl acetoacetateCCOC(=O)CC(=O)C
144-55-8205-633-8Sodium bicarbonateC(O)(=O)[O-].[Na+]
151-21-3205-788-1Sodium lauryl sulfateC(CCCCCCCCCC)COS(=O)(=O)[O-].[Na+]
151-50-8205-792-3Potassium cyanide [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
26523-78-4247-759-6Tris(nonylphenyl)phosphiteCCCCCCCCCc1ccccc1OP(Oc2ccccc2CCCCCCCCC)Oc3ccccc3CCCCCCCCC
26761-40-0247-977-1Di-"isodecyl" phthalatec1(c(cccc1)C(OCCCCCCCC(C)C)=O)C(OCCCCCCCC(C)C)=O
298-04-4206-054-3DisulfotonCCOP(=S)(OCC)SCCSCC
298-46-4206-062-7CarbamazepineNC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11|
302-17-0206-117-5Chloral hydrateOC(O)C(Cl)(Cl)Cl
302-27-2206-121-7AconitineCCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@](OC(=O)C)([C@@H]([C@H](OC)[C@H]23)C14)[C@H]5[C@H]6OC(=O)c7ccccc7
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+]
39515-41-8254-485-0FenpropathrinCC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C
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
50-21-5200-018-0Lactic acidC([C@@H](C)O)(O)=O
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
51-18-3200-083-5TriethylenemelamineC1CN1c1nc(nc(n1)N1CC1)N1CC1
51-21-8200-085-65-FluorouracilFC1=CNC(=O)NC1=O
51-42-3200-097-1Epinephrine bitartrateO[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
533-45-9208-565-7ClomethiazoleCC1=C(CCCl)SC=N1
54-11-5200-193-3NicotineCN1CCC[C@H]1C1=CN=CC=C1
54-62-6200-209-9Aminopterin (4-Aminofolic acid)Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1
54-85-3200-214-6IsoniazidNNC(=O)c1ccncc1
549-18-8208-964-6Amitriptyline hydrochlorideCl.CN(C)CC\C=C1/c2ccccc2CCc3ccccc13
55-98-1200-250-2BusulfanC[S](=O)(=O)OCCCCO[S](C)(=O)=O
554-13-2209-062-5Lithium carbonateC(=O)([O-])[O-].[Li+].[Li+]
557-05-1209-151-9Zinc distearateCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Zn+2]
56-23-5200-262-8Carbon tetrachlorideClC(Cl)(Cl)Cl
56-38-2200-271-7ParathionP(Oc1ccc([N+](=O)[O-])cc1)(OCC)(OCC)=S
56-55-3200-280-6Benz[a]anthracenec1ccc2cc3c(ccc4ccccc34)cc2c1
56-75-7200-287-4Chloramphenicolc1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[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
579-66-8209-445-72,6-DiethylanilineCCc1cccc(CC)c1N
58-08-2200-362-1CaffeineO=C1C2=C(N=CN2C)N(C(=O)N1C)C
58-55-9200-385-7Theophyllinec12c(n(c(=O)n(c1=O)C)C)nc[nH]2
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
62-76-0200-550-3Sodium oxalateC(=O)(C(=O)[O-])[O-].[Na+].[Na+]
634-66-2211-214-01,2,3,4-Tetrachlorobenzenec1(c(c(ccc1Cl)Cl)Cl)Cl
6385-62-2Diquat dibromide monohydratec1cc2c3[n+](CC[n+]2cc1)cccc3.[BrH-].[BrH-].O
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
6591-63-5Quinidine 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
66-81-9200-636-0Cycloheximide[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 AcidCC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C
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
71-55-6200-756-31,1,1-TrichloroethaneCC(Cl)(Cl)Cl
7446-18-6231-201-3Thallium sulphateS(=O)(=O)([O-])[O-].[Tl+].[Tl+]
7447-40-7231-211-8Potassium chloride[Cl-].[K+]
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
76-03-9200-927-2Trichloroacetic acidOC(=O)C(Cl)(Cl)Cl
76-57-3200-969-1CodeineCOc1ccc2CC5C3C=CC(O)C4Oc1c2C34CCN5C
76-87-9200-990-6Triphenyltin hydroxideO[Sn](c1ccccc1)(c2ccccc2)c3ccccc3
7647-14-5231-598-3Sodium chloride[Na+].[ClH-]
7681-49-4231-667-8Sodium fluoride[Na+].[FH-]
7681-52-9231-668-3Sodium hypochlorite[Na+].[O-]Cl
77-06-5201-001-0 Gibberellic acid[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C=C[C@@]21OC3=O
77-21-4201-012-0GlutethimideCCC1(CCC(=O)NC1=O)C1=CC=CC=C1
77-92-9201-069-1Citric acidO=C(O)C(O)(CC(=O)O)CC(=O)O
77182-82-2278-636-5 Glufosinate-ammoniumP(=O)(CCC(C(=O)[O-])N)(C)O.[NH4+]
7720-78-7231-753-5Ferrous sulfate[Fe+2].[O-]S(=O)(=O)[O-]
7758-98-7231-847-6Copper sulphateS(=O)(=O)([O-])[O-].[Cu+2]
7758-99-8616-477-9Cupric sulfate pentahydrateS(=O)(=O)([O-])[O-].O.O.O.O.O.[Cu+2]
7778-80-5231-915-5Potassium sulfateS(=O)(=O)([O-])[O-].[K+].[K+]
7779-90-0231-944-3Trizinc bis(orthophosphate)P([O-])([O-])(=O)[O-].P(=O)([O-])([O-])[O-].[Zn+2].[Zn+2].[Zn+2]
7784-46-5232-070-5Sodium arsenite[As](=O)[O-].[Na+]
7789-12-0616-541-6Sodium dichromate dihydrate[O-][Cr](=O)(=O)O[Cr]([O-])(=O)=O.[Na+].[Na+].O.O
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
84-66-2201-550-6Diethyl phthalateCCOC(=O)C1=C(C=CC=C1)C(=O)OCC
84-74-2201-557-4Dibutyl phthalateCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCC
85-00-7201-579-4Diquat dibromidec12c3[n+](CC[n+]1cccc2)cccc3.[BrH-].[BrH-]
85-01-8201-581-5Phenanthrenec1ccc2c(c1)ccc3ccccc23
85-44-9201-607-5Phthalic anhydrideO=C1OC(=O)c2ccccc12
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
89-57-6201-919-15-Aminosalicylic acidO=C(O)c(c(O)ccc1N)c1
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
91-53-2202-075-7EthoxyquinCCOc1ccc2NC(C)(C)C=C(C)c2c1
917-61-3213-030-6Sodium cyanateC(#N)[O-].[Na+]
92-43-3202-155-11-Phenyl-3-pyrazolidoneO=C1CCN(N1)C1=CC=CC=C1
94-13-3202-307-7PropylparabenO=C(OCCC)c(ccc(O)c1)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
97-74-5202-605-7Tetramethylthiuram monosulphideCN(C)C(=S)SC(=S)N(C)C
98-86-2202-708-7AcetophenoneCC(=O)c1ccccc1
99-66-1202-777-3Valproic acidC(CCC)(CCC)C(O)=O