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BASF 23

Tungsten hexachloride is a tungsten coordination entity.

C1=CC(=C(C=C1CC(C(=O)O)N)F)O

4-acetoxy acetophenone is a methyl ketone that is acetophenone substituted by an acetoxy group at position 4. It is a member of acetophenones and a member of phenyl acetates. It is functionally related to an acetophenone.

CCN(CC)CCOC(=O)C(C1=CC=CC=C1)N2CCCCC2

5-Acetylsalicylic acid is an aromatic ketone.

CCC(C(=O)O)C1(CCCCC1)O

1,6-dihydroxy-2-methylcyclohexa-2,4-dienecarboxylic acid is a cyclohexadienecarboxylic acid that is cyclohexa-2,4-diene-1-carboxylic acid substituted by hydroxy group at positions 1 and 6 and a methyl group at position 2. It is a conjugate acid of a 1,6-dihydroxy-2-methylcyclohexa-2,4-diene-1-carboxylate.

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

4-methyl-2-quinazolinamine is a member of quinazolines.

C1=CC2=C(C=CC(=O)N2)C(C1O)O

Inaperisone is an aromatic ketone.

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

4-hydroxybenzenediazonium is a member of phenols.

COC1=C(C=CC(=C1)C(=S)N2CCOCC2)O

Ethadione is an oxazolidinone.

C1=CC(=C(C=C1O)C(=O)O)N

Oxotremorine M is a quaternary ammonium ion. It has a role as a muscarinic agonist.

CC(C(=O)O)NC(=O)C(CCSC)NC=O

N-[3-(ethoxycarbonylamino)-2,2-dimethylpropyl]carbamic acid ethyl ester is a carbamate ester.

CC(C)C1=CC=C(C=C1)C(=C)C

Tyrphostin 1 is a member of methoxybenzenes. It has a role as a geroprotector.

CCS(=O)(=O)C1=CC=CC=C1

Ethylmercurithiosalicylic acid is an alkylmercury compound. It is a conjugate acid of an ethylmercurithiosalicylate.

CC(C)COC(=O)CCCCC(=O)OCC(C)C

N1,N4-Diacetylsulfanilamide is a sulfonamide.

CN(C)C(=O)SCCCCOC1=CC=CC=C1

4,4'-(2-Methylpropylidene)bisphenol is a diarylmethane.

CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O

2,6-di-tert-butylphenol is a member of the class of phenols carrying two tert-butyl substituents at positions 2 and 6. It has a role as an antioxidant. It is a member of phenols and an alkylbenzene.

C(C(C(C(C(CO)O)O)O)O)O

Zinc diethyldithiocarbamate is a dithiocarbamate salt that is the zinc salt of diethyldithiocarbamic acid. It is an accelerator and activator for natural rubber. It has a role as an antifungal agrochemical. It is a dithiocarbamate salt and a zinc molecular entity. It contains a diethyldithiocarbamate and a zinc(2+). It is functionally related to a diethyldithiocarbamic acid.

CC(C(=O)C1=NC2C(NC1)N=C(NC2=O)N)O

Furtrethonium is an aralkylamine.

[CH3-].[CH3-].[Zn+2]

Oxapropanium is a dioxolane.

C1=CC(=CC=C1N)S(=O)(=O)NC(=O)N

Ethyl 3,4-dihydroxybenzoate is an ethyl ester resulting from the formal condensation of the carboxy group of 3,4-dihydroxybenzoic acid with ethanol. It is the anti-oxidative component of peanut seed testa. It has a role as an EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor, an antibacterial agent, an antioxidant, an apoptosis inducer and a plant metabolite. It is an ethyl ester and a member of catechols. It is functionally related to a 3,4-dihydroxybenzoic acid.

CC(=O)OCC1=COC=C2C1=CC=C2C=O

6-methoxymellein is an isochromane that is mellein bearing a methoxy substituent at position 6. It is functionally related to a mellein.

COC1=CC(=C(C2=C1C=CC(=O)O2)O)OC

N-acetyl-D-hexosamine 1-phosphate is a hexosamine phosphate having the phospho group at the 1-position. It is a conjugate acid of a N-acetyl-D-hexosamine 1-phosphate(2-).

CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O

Auramine O free base is a member of the class of imines that is benzophenone imine carrying two dimethylamino substituents at positions 4 and 4'. The hydrochloride salt is the biological stain 'auramine O' It has a role as a fluorochrome and a histological dye. It is an imine, a tertiary amino compound and a substituted aniline. It is a conjugate base of an auramine O(1+).

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

3-methylisoquinoline is an isoquinoline substituted by a methyl group at position 3. It has a role as a bacterial xenobiotic metabolite.

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

[(2S,3R)-3-Amino-2-hydroxy-4-phenylbutyryl]-L-leucine is a peptide.

CCCCN(CCC(=O)OCC)C(=O)C

Epinastine is a benzazepine that is 6,11-dihydro-5H-dibenzo[b,e]azepine in which the azepine ring is fused to the e side of 4,5-dihydro-1H-imidazol-2-amine. It has a role as an anti-allergic agent, a histamine antagonist, an ophthalmology drug and a H1-receptor antagonist. It is a member of guanidines and a benzazepine.

CN(C)C(OC1CCCCC1)OC2CCCCC2

Epirizole is an aromatic ether.

CCCCCCCC[N+](C)(C)C.[Br-]

Methacetin is a member of the class of acetamides that is paracetamol in which the hydrogen of phenolic hydroxy group has been replaced by a methyl group. It is a member of acetamides and an aromatic ether. It is functionally related to a p-anisidine and a paracetamol.

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O

Allobarbital is a member of barbiturates.

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

(3-Methylphenyl)methyl acetate is a carboxylic ester. It is functionally related to a benzyl alcohol.

COC1=CC(=CC(=C1)CC(=O)O)OC

Fencibutirol is a monoterpenoid.

CNC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2

Heptadecanoic acid is a C17 saturated fatty acid and trace component of fats in ruminants. It has a role as a mammalian metabolite, a Daphnia magna metabolite and an algal metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a margarate.

CNCC(C1=CC(=CC=C1)O)O

Lutidinic acid is a pyridinedicarboxylic acid carrying carboxy groups at positions 2 and 4. It is a conjugate acid of a lutidinate(1-).

C1C(C1N)C2=CC=CC=C2

1,5-Naphthalene diisocyanate is a member of naphthalenes.

CC1=C(C(=C(C(=C1C)C)C)C)C

Menadiol dibutyrate is a member of naphthalenes.

CCC(CC1=CC2=C(C=C1)OCO2)N

N-Desmethyldiphenhydramine is a diarylmethane.

CC(=O)NNCCC1=CC=CC=C1

2-amino-2-phenylacetonitrile is a nitrile that is phenylacetonitrile in which one of the alpha-hydrogens is replaced by an amino group. It is a nitrile and a primary amino compound. It is functionally related to a phenylacetonitrile.

C(C(C(C(C1C(NC(=O)N1)O)O)O)O)O

Trolox is a chromanol that is 6-hydroxychromane which is substituted by a carboxy group at position 2 and by methyl groups at positions 2, 5, 7, and 8. A cell-permeable, water-soluble analogue of vitamin E, it is used as a standard for measuring the antioxidant capacity of complex mixtures. It has a role as an antioxidant, a radical scavenger, a Wnt signalling inhibitor, a neuroprotective agent and a ferroptosis inhibitor. It is a chromanol, a member of phenols and a monocarboxylic acid.

CN1C2=CC(=C(C(=C2C3=C1C=NC=C3)Br)O)Br

2-amino-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is a member of triazolopyrimidines.

C1C=C(C(=O)O1)CCC(=O)O

Tiludronic acid is an organochlorine compound.

CC1=CC(=CC(=C1O)O)Cl

6-methyl-1-oxido-pyrazin-1-ium-2-carboxylic acid is a pyrazinecarboxylic acid.

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1

1,4-benzodiazepine is a benzodiazepine and a mancude organic heterobicyclic parent.

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

Lofexidine is a member of imidazoles, a dichlorobenzene, an aromatic ether and a carboxamidine. It has a role as an alpha-adrenergic agonist and an antihypertensive agent.

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

2-benzothiazolsulfonic acid is a member of benzothiazoles.

C(CCN)CC(C(=O)NCC(=O)O)N

1H-1lambda~6~-benzo[b]thiophene-1,1-dione is a benzenoid aromatic compound.

C1=CC=C(C=C1)CNC(=O)OCCO

Stipitatonic acid is a cycloheptafuran and a cyclic dicarboxylic anhydride. It is a conjugate acid of a stipitaton-4-olate.

CC(CCCCCCCCC(=O)O)O

N-(3-fluorophenyl)benzamide is a member of benzamides.

CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC

4-deoxypyridoxine is a pyridine ring substituted with methyl groups at positions 2 and 4, a hydroxyl at position 3, and a hydroxymethyl group at position 5. It has a role as a metabolite. It is a hydroxymethylpyridine, a member of methylpyridines and a monohydroxypyridine.

CC1CC2=CC(=C(C(=C2CO1)O)C)OC

3-hydroxyindolin-2-one is an oxindole that is 1,3-dihydro-2H-indol-2-one substituted by a hydroxy group at position 3. It is a member of oxindoles and a member of hydroxyindoles.

C1=CC2=C(C=CC(=C2)O)C=C1C(=O)O

Toluene-4-sulfonic acid is an arenesulfonic acid that is benzenesulfonic acid in which the hydrogen at position 4 is replaced by a methyl group. It is a member of toluenes and an arenesulfonic acid. It is a conjugate acid of a toluene-4-sulfonate.

C1CN(CCN1C=O)C(=O)C(Cl)Cl

4-amino-5-chloro-2-methoxybenzoic acid 3-(1-piperidinyl)propyl ester is a methoxybenzoic acid.

C1=NC(=O)NC(=C1C(=O)O)N

Isoflavanone is isoflavone in which the double bond between positions 2 and 3 has been reduced to a single bond.

CCCCCCCCCCCCCCCCCC(=O)OCCO

Succinylmonocholine is an acylcholine.

CN(C)CCCCCCN(C)C.C(CBr)CBr

N, N-Diethylbenzylamine is an aromatic amine.

CC1CCCCN1CCCOC(=O)C2=CC(=C(C=C2)Cl)Cl

2-Methylbutyl 2-methylbutanoate is a fatty acid ester.

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

2-Hydroxypropyl stearate is a fatty acid ester.

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

Quinoline-4,6-diol is quinoline substituted by hydroxy groups at the 4- and 6-positions. It is the product of 5-hydroxytryptophan metabolism, via monoamine oxidase catalysed conversion of 5-hydroxykynurenamine. It has a role as a human metabolite and a mouse metabolite.

C1=C(C=C(C(=C1Br)O)Br)Br

Aminopyralid is an organochlorine pesticide having a 3,6-dichlorinated 4-aminopicolinic acid structure. It has a role as a herbicide. It is an organochlorine pesticide, a member of pyridines and an aromatic amine. It is functionally related to a picolinic acid.

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

Glycyl-glycyl-glycine is a tripeptide in which three glycine units are linked via peptide bonds in a linear sequence. It is a tautomer of a Gly-Gly-Gly zwitterion.

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

Atherosperminine is an alkaloid.

CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)CO)O)C

Phosalone is a member of the class of 1,3-benzoxazoles carrying a [(diethoxyphosphorothioyl)sulfanyl]methyl group at the nitrogen atom, an oxo group at position 2 and a chloro group at position 6. It is an organothiophosphate insecticide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 3.1.1.8 (cholinesterase) inhibitor, an acaricide and an agrochemical. It is an organothiophosphate insecticide, an organochlorine insecticide, a carbamate ester and a member of 1,3-benzoxazoles.

C1=CC=C(C=C1)COC(=O)CCC(=O)OCC2=CC=CC=C2

Nonacosanoic acid is a very long-chain fatty acid comprising of 29 carbon atoms. It has a role as a plant metabolite. It is a straight-chain saturated fatty acid and a prostaglandin A1.

C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl

Methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate is an alanine derivative that is methyl alaninate in which one of the hydrogens attached to the nitrogen is substituted by a methoxyacetyl group, while the other is substituted by a 2,6-dimethylphenyl group. It is an alanine derivative, an aromatic amide, a carboxamide, an ether and a methyl ester.

CCOCN1C(=C(C(=O)NC1=O)C(C)C)SC2CCCCC2

Pyrene-1,8-dione is a member of pyrenes.

CN1CCN(CC1)C2=NC3=CC=CC=C3C=C2

3-Chloro-4-methoxyaniline is an aromatic ether and a substituted aniline.

CCCCCC1C(CCC1=O)CC(=O)O

N-Desmethyltramadol is a member of methoxybenzenes.

CCCCCC(C(CC(C(CCCCCCCC(=O)O)O)O)O)O

2-[4-(4-methoxyphenyl)-1-piperazinyl]pyrimidine is a member of piperazines.

CC(CN(C)C)C(C)(CC1=CC=C(C=C1)Cl)O.Cl

Clorprenaline hydrochloride is an organochlorine compound.

CCOP(=S)(OCC)SCCS(=O)CC

Phenethyl isobutyrate is a carboxylic ester obtained by the formal condensation of 2-phenylethanol with isobutyric acid. It has a role as a metabolite. It is functionally related to a 2-phenylethanol and an isobutyric acid.

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

Dibenzylamine is an aromatic amine.

C1=CC(=CC=C1C2=CC=C(C=C2)O)N

Dibenzyl ether is a benzyl ether in which the oxygen atom is connected to two benzyl groups. It has a role as a metabolite.

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

2-(1H-benzimidazol-2-ylthio)acetic acid methyl ester is a member of benzimidazoles.

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

Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)- is a sesquiterpenoid.

CC1(C2CCC(C2)(C1=O)C)C

Fenobucarb is a carbamate ester obtained by the formal condensation of 2-sec-butylphenol with methylcarbamic acid. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an agrochemical, a herbicide, an insecticide and an environmental contaminant. It is functionally related to a methylcarbamic acid and a 2-sec-butylphenol.

CC1=CC(=NC(=N1)Cl)N(C)C

3-(5-hydroxyindol-3-yl)pyruvic acid is a hydroxyindole that is indole substituted by a 2-carboxy-2-oxoethyl group at position 2 and a hydroxy group at position 5. It has a role as a rat metabolite. It is an indol-3-yl carboxylic acid, a member of hydroxyindoles and a 2-oxo monocarboxylic acid. It is functionally related to a pyruvic acid. It is a conjugate acid of a 3-(5-hydroxyindol-3-yl)pyruvate.

COC1=C(C(=CC=C1)OC)OC

(1-hydroxycyclohexyl)acetic acid is a 3-hydroxy monocarboxylic acid consisting of cyclohexane carrying carboxymethyl and hydroxy substituents both at the 1-position. It is functionally related to an acetic acid.

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

4-(dimethylamino)benzenediazonium is an aromatic diazonium ion.

CC(=O)NC1=CC(=C(C=C1)C(=O)O)O

3,4-dichlorocatechol is a dichlorocatechol that is catechol in which the hydrogens at positions 3 and 4 are replaced by chlorines. It has a role as a bacterial xenobiotic metabolite.

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C#N)C#N

Nitroxoline is a monohydroxyquinoline in which the hydroxy group is positioned at C-8 with a nitro group trans to it at C-5. It has a role as an antimicrobial agent, an antifungal agent, a renal agent and an antiinfective agent. It is a C-nitro compound and a monohydroxyquinoline.

C1=CC(=CC(=C1)O)CCC2=CC=C(C=C2)O

4-bromo-2-chlorophenol is a halophenol that is phenol in which the hydrogens at positions 2 and 4 have been replaced by chlorine and bromine, respectively. It is a halophenol, a member of monochlorobenzenes and an organobromine compound.

C1=CC=C(C(=C1)C(=O)O)N=NC2=CC=C(C=C2)O

Dicyclohexyl disulfide is an organic disulfide.

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

(+/-)-Menthyl acetate is a p-menthane monoterpenoid.

CCCCCCCCCCCC(=O)OCC(C1C(C(CO1)O)O)O

Piperidione is a member of piperidones.

CC(C)N(C1=CC=C(C=C1)Cl)C(=O)CSP(=S)(OC)OC

Trichloroacetic acid is a monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine. It has a role as a metabolite, a carcinogenic agent and a mouse metabolite. It is a monocarboxylic acid and an organochlorine compound. It is functionally related to an acetic acid. It is a conjugate acid of a trichloroacetate.

C1=CC=C(C=C1)COC(=O)CC(=O)O

Cloranolol is a dichlorobenzene.

CC1=NN=C2N1N=CC3=CC=CC=C32

4-(2-nitrobutyl)morpholine is morpholine substituted at nitrogen by a 2-nitrobutyl group. It has a role as an antimicrobial agent and an allergen.

C1=CC2=C(C(=C1)O)NC(=O)C=C2

4-(4-Hydroxyphenyl)-2-butanol is a member of phenols.

CCC(C)N1C(=O)C(=C(NC1=O)C)Br

Dinitrogen tetraoxide is a nitrogen oxide. It has a role as an oxidising agent.

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

Beryllium sulfate is a metal sulfate in which the metal is beryllium (in the +2 oxidation state) and the ratio of beryllium to sulfate is 1:1. It has a role as an allergen. It contains a beryllium(2+).

CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2)C=CC=C3O

Dichromic acid is a chromium oxoacid. It is a conjugate acid of a hydrogen dichromate.

C1=CSC(=C1)C2=CC=CS2

Isobutyl octanoate is a fatty acid ester.

CC(C)(C)NCC(COC1=CC=CC=C1OCC2CCCO2)O.Cl

Biphenyl-4,4'-dithiol is a dithiol and a member of biphenyls.

C1COP(=O)(N(C1=O)CCCl)NCCCl

7-Methoxy-3,4-dihydro-1(2H)-naphthalenone is a member of tetralins.

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O

Bis-tris is a buffer substance useful for calibration of glass electrodes and for the preparation of the biochemical and biological buffer solutions; pKa = 6.46 at 25 ###. It has a role as a buffer. It is functionally related to a member of tris.

C1=C(SC(=N1)N)[N+](=O)[O-]

2-naphthyl tetradecanoate is a tetradecanoate ester obtained by formal condensation of the carboxy group of tetradecanoic acid with the hydroxy group of 2-naphthol. It has a role as a chromogenic compound. It is a tetradecanoate ester, a member of naphthalenes and an aromatic ester. It is functionally related to a 2-naphthol.

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

Nepafenac is a monocarboxylic acid amide that is amfenac in which the carboxylic acid group has been converted into the corresponding carboxamide. It is a prodrug for amfenac, used in eye drops to treat pain and inflammation following cataract surgery. It has a role as a prodrug, a cyclooxygenase 2 inhibitor, a cyclooxygenase 1 inhibitor, a non-steroidal anti-inflammatory drug and a non-narcotic analgesic.

C1CCCCCCCC(=O)OCCCCCCC1

Flaviolin is a hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone having three hydroxy substituents placed at the 2-, 5- and 7-positions. It has a role as an Aspergillus metabolite. It is a conjugate acid of a flaviolin-2-olate.

C1CC2=CC=CC=C2C3=NN=C(C=C3C1)NCCN4CCOCC4

2,6-Dihydroxynaphthalene is a member of naphthols.

CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=NC=CN24

2-Methoxy-5-nitrophenol is a member of 3-nitrophenols.

C(CC(C(C(=O)O)N)O)CN

Sodium phenylbutyrate is the organic sodium salt of 4-phenylbutyric acid. A prodrug for phenylacetate, it is used to treat urea cycle disorders. It has a role as a prodrug, an EC 3.5.1.98 (histone deacetylase) inhibitor, a neuroprotective agent, an orphan drug and a geroprotector. It contains a 4-phenylbutyrate.

CC(C)CCCCCC(=O)CCCCCCCN=[N+](C=C)[O-]

Chlorfenac is a member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl group has been substituted by chlorines at positions 2, 3, and 6. An obsolete herbicide that was used as its sodium and ammonium salts. It has a role as a herbicide, an agrochemical and a synthetic auxin. It is a trichlorobenzene and a member of phenylacetic acids. It is a conjugate acid of a chlorfenac(1-).

C1=CC=C2C(=C1)C=CC3=C2C=CC(C3O)O