benazepril
2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid
Molecular Identity
benazepril
2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid
PubChem CID: 5362124
Benazepril is a benzazepine that is benazeprilat in which the carboxy group of the 2-amino-4-phenylbutanoic acid moiety has been converted to the corresponding ethyl ester. It is used (generally as its hydrochloride salt) as a prodrug for the angiotensin-converting enzyme inhibitor benazeprilat in the treatment of hypertension and heart failure. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor and a prodrug. It is an ethyl ester, a lactam, a benzazepine and a dicarboxylic acid monoester. It is functionally related to a benazeprilat. It is a conjugate base of a benazepril(1+).
2D Structure
Properties
C24H28N2O5
Molecular Formula
424.50
Molecular Weight
g/mol
424.1998
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
95.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
619
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
benazepril86541-75-5BenazeprilumBenazeprilum [Latin]Benazepril SandozBriemForteekorCGS-14824ACibacen wsUDM7Q7QWP82-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acidC09AA07CHEBI:30111H-1-Benzazepine-1-acetic acid, 3-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (S-(R*,R*))-DTXSID5022645
Data from PubChem (NCBI)
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