The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

flavoxate hydrochloride

Synonyms

flavoxate HCl

2-piperidinoethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate hydrochloride

1-(2-{[(3-methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]oxy}ethyl)piperidinium chloride

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

C24H26ClNO4

Urispas

ID

http://purl.obolibrary.org/obo/CHEBI_5089

Definition

The hydrochloride salt of flavoxate.

has role

http://purl.obolibrary.org/obo/CHEBI_53784

http://purl.obolibrary.org/obo/CHEBI_48876

http://purl.obolibrary.org/obo/CHEBI_50370

InChI

InChI=1S/C24H25NO4.ClH/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;1H

InChIKey

InChIKey=XOEVKNFZUQEERE-UHFFFAOYSA-N

label

flavoxate hydrochloride

prefixIRI

obo2:CHEBI_5089

prefLabel

flavoxate hydrochloride

SMILES

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

Synonym

flavoxate HCl

2-piperidinoethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate hydrochloride

1-(2-{[(3-methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]oxy}ethyl)piperidinium chloride

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

C24H26ClNO4

Urispas

xref

CiteXplore:2461883

CiteXplore:5163920

ChEMBL:774826

Reaxys:6258688

KEGG DRUG:D00718

CiteXplore:6367811

CiteXplore:3350206

CiteXplore:21042486

DrugBank:DB01148

CASRN:3717-88-2

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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