Benazepril (Standard)

Chemical Information
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+).
| CAS Number | 86541-75-5 |
| PubChem CID | 5362124 |
| IUPAC Name | 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 Formula | C24H28N2O5 |
| Molecular Weight | 424.5 |
| XLogP | 1.3 |
| Topological Polar Surface Area | 95.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 619 |
| Property | Value |
|---|---|
| Molecular Weight | 424.5 |
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Exact Mass | 424.19982200 |
| Monoisotopic Mass | 424.19982200 |
| Topological Polar Surface Area | 95.9 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 619 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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