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BASF 26

Neostigmine bromide is the bromide salt of neostigmine. It contains a neostigmine.

CN1CCC2=CC3=C(C(=C2C1)OC)OCO3

Cadmium sulfate is a cadmium salt.

CCC(C1=CC=CC=C1)(C2=CC(=CC=C2)C(F)(F)F)O

Fenestrel is a member of benzenes.

CC(C)(C)C1=NNC(=O)N(C1=O)N

Ambucetamide is an amino acid amide.

C1=CC2=C(C=CC(=C2N=O)O)C=C1S(=O)(=O)O

Thymyl acetate is a monoterpenoid.

CC(C)(C)C(=O)OCCC1=CC=CC=C1

N(2)-acetylglutamine is a glutamine derivative with an acetyl group bound at the alpha-amino group. It has a role as a human urinary metabolite. It is a N-acetyl-amino acid and a N(2)-acylglutamine.

C1=CC(=CC=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)O

3,4-Dioxymethylene-5-methoxy-1-(1-oxopropyl)benzene is a member of benzodioxoles.

C1=CC=C(C=C1)C2C(=NC(=O)N2)C3=CC=CC=C3

Dacarbazine is a monocarboxylic acid amide that is 1H-imidazole-4-carboxamide which is substituted at position 5 by a 3,3-dimethyltriaz-1-en-1-yl group. It is used for the treatment of metastatic malignant melanoma, and in combination with other drugs for the treatment of Hodgkin's disease and soft-tissue sarcoma. It has a role as an antineoplastic agent, an alkylating agent, a prodrug and a carcinogenic agent. It is a monocarboxylic acid amide, a member of imidazoles and a triazene derivative.

CCCNC1CCC2=C(C1)SC(=N2)N

Dacthal is a diester and a methyl ester.

CC(C1=CC2=C(C=C1)OC3=C(C2)C=CC=N3)C(=O)O

3-hydroxy-1-methoxy-9,10-dioxo-2-anthracenecarboxaldehyde is a monohydroxyanthraquinone and an aldehyde.

C1CCN(CC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)O

Dapsone is a sulfone that is diphenylsulfone in which the hydrogen atom at the 4 position of each of the phenyl groups is substituted by an amino group. It is active against a wide range of bacteria, but is mainly employed for its actions against Mycobacterium leprae, being used as part of multidrug regimens in the treatment of all forms of leprosy. It has a role as an antimalarial, a leprostatic drug, an antiinfective agent and an anti-inflammatory drug. It is a sulfone and a substituted aniline. It is functionally related to a diphenyl sulfone.

CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2

1-(2,4-Dihydroxyphenyl)-1-butanone is an aromatic ketone.

CC(C)(CC1=CC=C(C=C1)Cl)N

2-(N-morpholino)ethanesulfonic acid is a Good's buffer substance, pKa = 6.15 at 20 ###. It is an organosulfonic acid and a MES. It is a conjugate acid of a 2-(N-morpholino)ethanesulfonate. It is a tautomer of a 2-(N-morpholiniumyl)ethanesulfonate.

C[N+](C)(C)C=C.[OH-]

Fingolimod hydrochloride is the hydrochloride salt of 2-amino-2-[2-(4-octylphenyl) ethyl]-1,3-propanediol (fingolimod). It has a role as a sphingosine-1-phosphate receptor agonist, an immunosuppressive agent and a prodrug. It contains a fingolimod(1+).

CN1C2=CC=CC=C2C(=O)C3=CC=CC=C31

N-(4-Aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide is a hydroxycinnamic acid.

CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO

3-(1-propyl-3-piperidinyl)phenol is a member of piperidines.

CC(C)(CC(=O)O)C(=O)O

2-[(4-Chlorophenyl)thio]acetic acid is an aryl sulfide.

CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C

2-amino-4,6-dinitrotoluene is an amino-nitrotoluene that is 4,6-dinitrotoluene substituted at position 2 by an amino group. It has a role as an explosive and a fungal xenobiotic metabolite.

C1CCC2=C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)Cl

CPP is a monocarboxylic acid. It has a role as a phenoxy herbicide.

C1C2=CC=CC=C2SC3=CC=CC=C31

Narcobarbital is a member of barbiturates.

C1=CC2=C(C=CN=C2)N=C1

3-(indol-3-yl)lactic acid is a hydroxy monocarboxylic acid that is lactic acid substituted by a 1H-indol-3-yl group at position 3. It is a metabolite of tryptophan. It has a role as a human metabolite. It is an indol-3-yl carboxylic acid and a hydroxy monocarboxylic acid. It is functionally related to a rac-lactic acid. It is a conjugate acid of a 3-(indol-3-yl)lactate.

C1=CC=C(C(=C1)C(=O)N)N

4-hydroxy-3-iodophenylpyruvic acid is a phenylpyruvic acid derivative having an iodo substituent at the 3-position and a hydroxy substituent at positions 4. It is functionally related to a pyruvic acid. It is a conjugate acid of a 4-hydroxy-3-iodophenylpyruvate.

C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN

Gamma-L-Glutamyl-L-beta-aminoisobutyric acid is an alpha-amino acid.

C1CCN(CC1)CC(C2=NOC(=C2)C3=CC=CC=C3)O

2-lauroylglycerol is a 2-monoglyceride where the acyl group is dodecanoyl (lauroyl). It is a 2-monoglyceride and a dodecanoate ester.

CC(C)C(=O)OCC=C(C)C

Chelidonic acid is a carbonyl compound and a member of pyrans.

CN1C2=C(NC(=O)NC2=O)NC1=O

Carveol is a limonene monoterpenoid that is cyclohex-2-en-1-ol substituted by a methyl group at position 2 and a prop-1-en-2-yl group at position 5. It has a role as a volatile oil component and a plant metabolite.

CCOC(=O)C1=CN=CC=C1

Carvone is a p-menthane monoterpenoid that consists of cyclohex-2-enone having methyl and isopropenyl substituents at positions 2 and 5, respectively. It has a role as an allergen. It is a member of carvones and a botanical anti-fungal agent.

CC(C)CCOC(=O)C1=CC=CO1

Methylparaben is a 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries. It has a role as a plant metabolite, an antimicrobial food preservative, a neuroprotective agent and an antifungal agent.

C1=CC(=C(C=C1C=O)C(=O)O)O

O(4)-methylthymine is a methylthymine in which the methyl group is located at the O4-position. It has a role as a human metabolite. It is an aromatic ether and a methylthymine.

C1CNC2=CC(=O)C(=O)C=C21

4'-hydroxyacetophenone is a monohydroxyacetophenone carrying a hydroxy substituent at position 4'. It has a role as a plant metabolite, a fungal metabolite and a mouse metabolite.

CCOC1=C(C=CC(=C1)C=O)O

P-toluic acid is a methylbenzoic acid in which the methyl substituent is located at position 4. It is a conjugate acid of a p-toluate.

CCOC(=O)C1C(O1)C2=CC=CC=C2

Betamipron is an organonitrogen compound and an organooxygen compound. It is functionally related to a beta-amino acid.

CCCCCCCCCCCCC(C(=O)O)O

Thiabendazole is a member of the class of benzimidazoles carrying a 1,3-thiazol-4-yl substituent at position 2. A mainly post-harvest fungicide used to control a wide range of diseases including Aspergillus, Botrytis, Cladosporium and Fusarium. It has a role as an antifungal agrochemical and an antinematodal drug. It is a member of benzimidazoles, a member of 1,3-thiazoles and a benzimidazole fungicide. It derives from a hydride of a 1H-benzimidazole.

CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)CO

Heptanoylcholine is an acylcholine.

CC(=O)C1=CC(=C(C=C1)O)OC

Benzoic acid 8-quinolinyl ester is a member of quinolines.

CN1CCC2=C3C1CC4=C(C3=CC=C2)C(=C(C=C4)O)O

1-naphthaleneacetamide is a member of the class of naphthalenes that is naphthalene which is substituted by a 2-amino-2-oxoethyl group at position 1. It is a synthetic auxin that is widely used in agriculture to promote the growth of numerous fruits, for root cuttings and as a fruit thinning agent. It has a role as a synthetic auxin. It is a member of naphthalenes and a primary carboxamide.

C1CN=C(N1)NC2=C(C=C(C=C2Cl)N)Cl

7-amino-4-hydroxy-2-naphthalenesulfonic acid is an aminonaphthalenesulfonic acid that is 2-naphthalenesulfonic acid substituted by an amino group at position 7 and a hydroxy group at position 4 respectively. It has a role as a metabolite. It is an aminonaphthalenesulfonic acid and a member of naphthols.

CCN(CC)CCCN(C1CC2=CC=CC=C2C1)C3=CC=CC=C3

1-Chloro-2-[1-(4-chlorophenyl)ethenyl]benzene is a diarylmethane.

CN1CCC=C(C1)C(=O)OC

1-(2,5-Dichloro-3-thienyl)ethan-1-one is an aromatic ketone.

CC(=O)OC1=CC=CC=C1C(=O)O

Diazoxide is a benzothiadiazine that is the S,S-dioxide of 2H-1,2,4-benzothiadiazine which is substituted at position 3 by a methyl group and at position 7 by chlorine. A peripheral vasodilator, it increases the concentration of glucose in the plasma and inhibits the secretion of insulin by the beta- cells of the pancreas. It is used orally in the management of intractable hypoglycaemia and intravenously in the management of hypertensive emergencies. It has a role as an antihypertensive agent, a sodium channel blocker, a vasodilator agent, a K-ATP channel agonist, a beta-adrenergic agonist, a cardiotonic drug, a bronchodilator agent, a sympathomimetic agent and a diuretic. It is a benzothiadiazine, a sulfone and an organochlorine compound.

CN1C2=NN(C(=O)N=C2C(=O)N(C1=O)C)C

1-Nitroso-2-naphthol is a member of naphthols.

CC1(C2CCC(O1)(OC(=O)C2)C)C

9-ethyl-3-carbazolamine is a member of carbazoles.

CC(=O)OCC(C#CC1=CC=C(S1)C2=CC=CS2)O

1-[2-(4-Hydroxyphenyl)-1-benzofuran-3-yl]ethanone is a member of benzofurans.

CC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O

2,4-Dimethoxybenzaldehyde is a dimethoxybenzene.

C1=CC=C(C(=C1)S(=O)(=O)O)S(=O)(=O)O

Butriptyline is an organic tricyclic compound.

C1=CC(=C(C=C1NC(C(Cl)(Cl)Cl)NC=O)Cl)Cl

Carbophenothion is an organic sulfide.

C1CC2=CC(=C(C=C2C3C1NCC4=CC=CC=C34)O)O

1,2-dibenzoylhydrazine is a carbohydrazide. It is functionally related to a benzohydrazide.

C1=CSC=C1C2=C(SC=C2)C3=CSC=C3

6-amino-5-nitrosopyrimidine-2,4-diol is a hydroxypyrimidine.

CC(=O)CCCCCCCCCCC1CCC(C1O)O

Diethatyl-ethyl is a tertiary amino compound.

CCCCOC(=O)CC(C(=O)OCCCC)O

5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-imidazolecarboxamide is a 1-ribosylimidazolecarboxamide.

CC1=CC=C(C=C1)C(C)CO

Flurenol methyl ester is a member of fluorenes.

CCOC(=O)CC1(OCC(O1)C)C

Potassium tetrathionate is a potassium salt composed of potassium and tetrathionate ions in a 2:1 ratio. It contains a tetrathionate(2-).

CCOC(=O)C(C#N)C1=CC=CC=C1

4-Ethyl-2,6-dimethoxyphenol is a member of phenols and a member of methoxybenzenes.

COC1=CC2=C(C=C1CC=C)OCO2

Olprinone is a member of bipyridines.

CCCCCCCCC(CCCCCC)CO

Ondansetron is a member of carbazoles.

C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)O

Cobalt(2+) sulfate heptahydrate is a hydrate that is the heptahydrate form of cobalt(2+) sulfate. It has a role as a carcinogenic agent and a genotoxin. It contains a cobalt(2+) sulfate.

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2

2-naphthyl dihydrogen phosphate is an aryl phosphate resulting from the formal condensation of phosphoric acid with 1 mol eq. of 2-naphthol. It is a substrate for phosphatase. It has a role as a chromogenic compound. It is functionally related to a 2-naphthol.

C1=CC(=CC(=C1)Cl)C(=O)O

9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid is a member of the class of pyridoquinolines that is 1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline carrying additional carboxy, methyl and fluoro substituents at positions 2, 5 and 9 respectively. It is a pyridoquinoline, a 3-oxo monocarboxylic acid, an organofluorine compound and a quinolone antibiotic.

CC1=C(C(=O)C(=O)C(=C1O)C)CO

Maclurin is a member of benzophenones.

CN1C2=C(NC1=O)N(C(=O)NC2=O)C

Pyrene is an ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system. It has a role as a fluorescent probe and a persistent organic pollutant.

CCCCN1C(=O)C(=O)N(C1=S)CCCC

Indoprofen is a monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(1-oxo-1,3-dihydroisoindol-2-yl)phenyl group. Initially used as an anti-inflammatory and analgesic, it was withdrawn from the market due to causing severe gastrointestinal bleeding. It has been subsequently found to increase production of the survival motor neuron protein. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic and an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It is a monocarboxylic acid, a member of isoindoles and a gamma-lactam. It is functionally related to a propionic acid.

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC

Iodoquinol is a monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by iodine. It is considered the drug of choice for treating asymptomatic or moderate forms of amoebiasis. It has a role as an antiamoebic agent, an antibacterial agent, an antiseptic drug and an antiprotozoal drug. It is a monohydroxyquinoline and an organoiodine compound.

C1=C(C(=NC(=C1Cl)Cl)OCC(=O)O)Cl

VX nerve agent is a organic thiophosphate that is the ethyl ester of S-{2-[di(propan-2-yl)amino]ethyl} O hydrogen methylphosphonothioate. A toxic nerve agent used in chemical warfare. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a neurotoxin. It is an organic thiophosphate and a tertiary amino compound.

C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Fenoxazoline is an alkylbenzene.

CC(CCC(C)OS(=O)(=O)C)OS(=O)(=O)C

Abametapir is a member of bipyridines.

CC[N+](CC)(CC)CC.[Cl-]

Benzamidosalicylate is a member of benzamides.

CC1=CC2C(C2(C)C)CC1

Chamazulene is a sesquiterpenoid.

CC1(C2CC3C1(C3C2)C)C

Tropic acid is a 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a phenyl group, and one of the methyl hydrogens is substituted by a hydroxy group. It has a role as a human xenobiotic metabolite. It is functionally related to a propionic acid and a hydratropic acid. It is a conjugate acid of a tropate.

CCCCCCCCCCCCCC(=O)OCC(CO)O

Tos-Ph-CH2Cl is a sulfonic acid derivative.

CC(CC1CCCCC1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3

5-nitroanthranilic acid is an aminobenzoic acid in which the the amino group is ortho- to the carboxylic acid group, and which is substituted para- to the amino group by a nitro group. It is a conjugate acid of a 5-nitroanthranilate.

CC(C)CCOC(CN1CCCC1)C2=CC=CC=C2

Oxiraneoctanoic acid, 3-(2,5-octadienyl)- is a medium-chain fatty acid.

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

Biphenyl-3-ol is a member of the class of hydroxybiphenyls that is phenol in which the hydrogen at position 3 has been replaced by a phenyl group.

COCCOC1=CN=C(N=C1)NS(=O)(=O)C2=CC=CC=C2

Carteolol is a quinolone and a secondary alcohol. It has a role as a beta-adrenergic antagonist, an antihypertensive agent, an antiglaucoma drug, an anti-arrhythmia drug and a sympatholytic agent. It is a conjugate base of a carteolol(1+).

CCOC(=O)C1(CCC=CC1N(C)C)C2=CC=CC=C2

Nonidet P-40 is a poly(ether) macromolecule that is polyethylene glycol in which one of the terminal hydroxy groups has been converted to the corresponding p-octylphenyl ether. A nonionic, non-denaturing detergent, it is used for solubilising membrane proteins during isolation of membrane-protein complexes. n ~ 8. It has a role as a detergent. It is an aromatic ether, a poly(ethylene glycol) derivative and a hydroxypolyether. It is functionally related to a 4-octylphenol.

CC1CCC2C13CC(=C(C)C)C(O3)(C=C2C)O

Violaceol I is an aromatic ether in which the ether functionality links two 2,3-dihydroxy-5-methylphenyl groups. Fungal metabolite isolated inter alia from Aspergillus spp. It has a role as a mycotoxin and a metabolite. It is a member of catechols and an aromatic ether.

C1=CC(=CC(=C1)O)CC(CO)C(CC2=CC(=CC=C2)O)CO

Albendazole is a carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a propylsulfanyl group at position 5. It is commonly used in the treatment of parasitic worm infestations. It has a role as a tubulin modulator, a microtubule-destabilising agent and an anthelminthic drug. It is a carbamate ester, a benzimidazolylcarbamate fungicide, an aryl sulfide and a member of benzimidazoles.

CC1CCC(C(C1O)O)C(C)C

Albuterol is a member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a tert-butyl group attached to the nirogen atom. It acts as a beta-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD). It has a role as a bronchodilator agent, a beta-adrenergic agonist, an environmental contaminant and a xenobiotic. It is a member of phenylethanolamines, a secondary amino compound and a member of phenols.

CC1CCC(C=C2C1CCC2C)C(=C)C

Carboxyphosphamide is a nitrogen mustard.

CN1CCCC(C1)CC2C3=CC=CC=C3SC4=CC=CC=C24

6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine is a member of benzothiazoles.

C1OC2=C(O1)C=C(C=C2)C(=O)O

8-anilino-1,3-dimethyl-7H-purine-2,6-dione is an oxopurine.

CC(C)C(CC=C)C(=O)NC(=O)N

7-O-Methylstrobopinin is an ether and a member of flavonoids.

COC1=C(C2=C(C=C1)C=CC(=O)O2)O

Dalbergin is a neoflavonoid.

C(COP(=O)(N)N(CCCl)CCCl)C=O

Tetrahydroharmol is a harmala alkaloid.

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C=O)C=O

2-(4-methyl-1-piperazinyl)aniline is a member of piperazines.

COC1=C(C=C2C(=C1)N=CC(=N2)C3=CC=CC=C3)OC

Decyl isobutyrate is a carboxylic ester.

C1=CC(=C(C=C1C=C(C#N)C#N)O)O

Eicosanal is a fatty aldehyde.

CC1=C(C=CC(=C1)Cl)N=CN(C)C

Pertusaric acid is a gamma-lactone.

C1=CC(=C(C=C1C(CO)O)O)O

2-[(4-Aminobenzoyl)amino]pentanedioic acid is a glutamic acid derivative.

CCC1=CC=C(C=C1)C(=O)O

3,3'-diaminobenzidine is a member of the class of biphenyls that is benzidine in which one of the hydrogens ortho to each of the amino groups has been replaced by an amino group. It has a role as a histological dye. It is a member of biphenyls and a substituted aniline.

CCCCCCCCCCCCCC(CC(CC)CC)CC(CC)CC

Phenyltoloxamine is a diarylmethane.

CCC(CCC(=O)O)C(=O)O

Sodium p-aminohippurate is an organic sodium salt that is the monosodium salt of p-aminohippuric acid. It has a role as a diagnostic agent. It contains a p-aminohippurate.

CCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C

Hexacosan-1-ol is a very long-chain primary fatty alcohol that is hexacosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. It has a role as a plant metabolite and an insecticide. It is a very long-chain primary fatty alcohol and a hexacosanol.

C=CCC1(C(=O)NC(=O)NC1=O)C2CCC=C2

(1-naphthyl)methanol is a naphthylmethanol that is methanol in which one of the hydrogens of the methyl group is replaced by a naphthalen-1-yl group. It has a role as a mouse metabolite.

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

2-Hydroxy-2-ethylsuccinic acid is a dicarboxylic acid.

CC(C)(C1CCC(=C)CC1)O

Dihydrosinapic acid is a member of benzenes and a monocarboxylic acid.

CCC(C1=CC=C(C=C1)OCCNC(C)CC2=CC=CC=C2)O

Karetazan is a member of the class of 4-pyridones that is N-ethyl-4-pyridone that is substituted at positions 2, 3, and 6 by p-chlorophenyl, carboxy, and methyl groups, respectively. It is used (particularly as its potassium salt, known as karetazan-potassium) as a chemical hybridisation agent for commercial hybrid seed production. It is not approved for use within the European Union. It has a role as a chemical hybridisation agent. It is a monocarboxylic acid, a member of monochlorobenzenes, a biaryl and a member of 4-pyridones. It is a conjugate acid of a karetazan(1-).

COC1=NC(=NC(=N1)N)N

Hexacosane is a straight-chain alkane comprising of 26 carbon atoms. It has a role as a volatile oil component and a plant metabolite.

C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2)Br)Br

N-propylbenzamide is a member of the class the class of benzamides that is benzamide substituted by a propyl group at the N atom. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is functionally related to a benzamide.

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl

2,2',5,5'-Tetrachlorobenzidine is a member of biphenyls and a dichlorobenzene.

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)O

2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid is a member of 1-benzothiophenes.

CCCCNC(=O)C1=C(C=CC(=C1)N)OCC#C