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CHEBI:3012 - benazepril hydrochloride

ChEBI IDCHEBI:3012
ChEBI Namebenazepril hydrochloride
Stars
DefinitionA hydrochloride salt resulting from the reaction of benazepril with 1 mol eq. of hydrogen chloride. It is used as a prodrug for angiotensin-converting enzyme inhibitor benazeprilat in the treatment of hypertension and heart failure.
Last Modified18 September 2018
DownloadsMolfile
FormulaC24H28N2O5.HCl
Net Charge0
Average Mass460.958
Monoisotopic Mass460.17650
SMILESCl.[H][C@]1(N[C@@H](CCc2ccccc2)C(=O)OCC)CCc2ccccc2N(CC(=O)O)C1=O
InChIInChI=1S/C24H28N2O5.ClH/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28;/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28);1H/t19-,20-;/m0./s1
InChIKeyVPSRQEHTHIMDQM-FKLPMGAJSA-N
Roles Classification
Biological Role:
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor  An EC 3.4.15.* (peptidyl-dipeptidase) inhibitor that interferes with the action of peptidyl-dipeptidase A (EC 3.4.15.1).
Application:
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor  An EC 3.4.15.* (peptidyl-dipeptidase) inhibitor that interferes with the action of peptidyl-dipeptidase A (EC 3.4.15.1).
ChEBI Ontology
Outgoing Relation(s)
benazepril hydrochloride (CHEBI:3012) has part benazepril(1+) (CHEBI:88201)
benazepril hydrochloride (CHEBI:3012) has role EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor (CHEBI:35457)
benazepril hydrochloride (CHEBI:3012) is a hydrochloride (CHEBI:36807)
IUPAC Name 
[(3S)-3-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid hydrochloride
Synonyms  Source
benazepril HClChemIDplus
benazepril monohydrochlorideChEBI
Brand Names  Source
CibaceneChemIDplus
LabopolChemIDplus
LotensinKEGG DRUG
CibaceChemIDplus
TensanilChemIDplus
CibacenChemIDplus
Manual XrefsDatabases
C07701KEGG COMPOUND
D00620KEGG DRUG
DB00542DrugBank
1767VSDB
Registry NumbersSources
Reaxys:4286047Reaxys
CAS:86541-74-4KEGG COMPOUND
CAS:86541-74-4ChemIDplus
Citations