flavoxate (CHEBI:5088)

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ChEBI Name	flavoxate

ChEBI ID	CHEBI:5088

Definition	A carboxylic ester resulting from the formal condensation of 3-methylflavone-8-carboxylic acid with 2-(1-piperidinyl)ethanol.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C24H25NO4

Net Charge

Average Mass

391.45960

Monoisotopic Mass

391.17836

InChI

InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3

InChIKey

SPIUTQOUKAMGCX-UHFFFAOYSA-N

SMILES

Cc1c(oc2c(cccc2c1=O)C(=O)OCCN1CCCCC1)-c1ccccc1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	parasympatholytic Any cholinergic antagonist that inhibits the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the muscarinic antagonists. muscarinic antagonist A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.

Application(s):	parasympatholytic Any cholinergic antagonist that inhibits the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the muscarinic antagonists. muscarinic antagonist A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists. antispasmodic drug A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder.

ChEBI Ontology
Outgoing	flavoxate (CHEBI:5088) has functional parent 2-(piperidin-1-yl)ethanol (CHEBI:61238) flavoxate (CHEBI:5088) has functional parent 3-methylflavone-8-carboxylic acid (CHEBI:61237) flavoxate (CHEBI:5088) has role antispasmodic drug (CHEBI:53784) flavoxate (CHEBI:5088) has role muscarinic antagonist (CHEBI:48876) flavoxate (CHEBI:5088) has role parasympatholytic (CHEBI:50370) flavoxate (CHEBI:5088) is a carboxylic ester (CHEBI:33308) flavoxate (CHEBI:5088) is a flavones (CHEBI:24043) flavoxate (CHEBI:5088) is a piperidines (CHEBI:26151) flavoxate (CHEBI:5088) is a tertiary amino compound (CHEBI:50996) flavoxate (CHEBI:5088) is conjugate base of flavoxate(1+) (CHEBI:61236)

Incoming	flavoxate(1+) (CHEBI:61236) is conjugate acid of flavoxate (CHEBI:5088)

IUPAC Name

2-(piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate

Synonyms	Sources
2-(1-piperidinyl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate	NIST Chemistry WebBook
2-piperidinoethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate	ChemIDplus
2-piperidinoethyl 3-methylflavone-8-carboxylate	ChEBI
β-piperidinoethyl 3-methylflavone-8-carboxylate	ChEBI
Flavoxate	KEGG COMPOUND

Last Modified

22 February 2017

General Comment
2011-02-04	Flavoxate is a smooth muscle relaxant but also has antimuscarinic effects. The hydrochloride salt is used for the symptomatic relief of pain, urinary frequency, and incontinence associated with inflammatory disorders of the urinary tract, as well as for relief of vesico-urethral spasms resulting from instrumentation or surgery.