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CHEBI:5089 - flavoxate hydrochloride

Default Structure
ChEBI IDCHEBI:5089
ChEBI Nameflavoxate hydrochloride
Stars
DefinitionThe hydrochloride salt of flavoxate.
Last Modified4 February 2013
DownloadsMolfile
FormulaC24H25NO4.HCl
Net Charge0
Average Mass427.928
Monoisotopic Mass427.15504
SMILESCc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O.Cl
InChIInChI=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
InChIKeyXOEVKNFZUQEERE-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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.
Applications:
antiinfective agent  A substance used in the prophylaxis or therapy of infectious diseases.
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.
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.
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
ChEBI Ontology
Outgoing Relation(s)
flavoxate hydrochloride (CHEBI:5089) has part flavoxate(1+) (CHEBI:61236)
flavoxate hydrochloride (CHEBI:5089) has role antiinfective agent (CHEBI:35441)
flavoxate hydrochloride (CHEBI:5089) has role antispasmodic drug (CHEBI:53784)
flavoxate hydrochloride (CHEBI:5089) has role muscarinic antagonist (CHEBI:48876)
flavoxate hydrochloride (CHEBI:5089) has role parasympatholytic (CHEBI:50370)
flavoxate hydrochloride (CHEBI:5089) is a hydrochloride (CHEBI:36807)
IUPAC Name 
1-(2-{[(3-methyl-4-oxo-2-phenyl-4H-chromen-8-yl)carbonyl]oxy}ethyl)piperidinium chloride
Synonyms  Source
2-(piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate hydrochlorideIUPAC
2-piperidinoethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate hydrochlorideChemIDplus
DW-61ChEMBL
flavoxate HClChemIDplus
NSC-114649ChEMBL
Brand Names  Source
UrispasKEGG DRUG
Urispas 200ChEMBL
Manual XrefsDatabases
D00718KEGG DRUG
DB01148DrugBank
Registry NumbersSources
Reaxys:6258688Reaxys
CAS:3717-88-2KEGG DRUG
CAS:3717-88-2ChemIDplus
Citations