CHEBI:52715 - bepridil hydrochloride monohydrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name bepridil hydrochloride monohydrate
ChEBI ID CHEBI:52715
Definition The hydrochloride monohydrate of bepridril.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3062, CHEBI:52714
Supplier Information
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Formulae C24H34N2O.HCl.H2O
C24H37ClN2O2
Net Charge 0
Average Mass 421.01600
Monoisotopic Mass 420.25436
InChI InChI=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
InChIKey UEECHQPWQHYEDE-UHFFFAOYSA-N
SMILES [H+].O.[Cl-].CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1
ChEBI Ontology
Outgoing 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 hydrate KEGG DRUG
Brand Name Source
Vascor KEGG DRUG
Manual Xref Database
D00631 KEGG DRUG
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Registry Numbers Types Sources
74764-40-2 CAS Registry Number KEGG DRUG
74764-40-2 CAS Registry Number ChemIDplus
8664991 Beilstein Registry Number Beilstein
Last Modified
07 July 2009