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CHEBI:52715 - bepridil hydrochloride monohydrate

ChEBI IDCHEBI:52715
ChEBI Namebepridil hydrochloride monohydrate
Stars
DefinitionThe hydrochloride monohydrate of bepridril.
Secondary ChEBI IDsCHEBI:3062, CHEBI:52714
Last Modified7 July 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaH.C24H34N2O.Cl.H2O
Net Charge0
Average Mass421.025
Monoisotopic Mass420.25436
SMILESCC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.O.[Cl-].[H+]
InChIInChI=1S/C24H34N2O.ClH.H2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22;;/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3;1H;1H2
InChIKeyUEECHQPWQHYEDE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
bepridil hydrochloride monohydrate (CHEBI:52715) has functional parent bepridil (CHEBI:3061)
bepridil hydrochloride monohydrate (CHEBI:52715) is a hydrate (CHEBI:35505)
bepridil hydrochloride monohydrate (CHEBI:52715) is a hydrochloride (CHEBI:36807)
IUPAC Name 
N-benzyl-N-[3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl]aniline hydrochloride—water (1/1)
Synonym  Source
Bepridil hydrochloride hydrateKEGG DRUG
Brand Name  Source
VascorKEGG DRUG
Manual XrefsDatabases
D00631KEGG DRUG
Registry NumbersSources
Beilstein:8664991Beilstein
CAS:74764-40-2KEGG DRUG
CAS:74764-40-2ChemIDplus