CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 691.2 |
| Melting Point | 148.5 |
| Solubility | 19mg/mL |
| LogP | 3.3 |
| Stability/Shelf Life | Stable under recommended storage conditions. /Benazepril hydrochloride/ |
| Optical Rotation | Specific optical rotation: -159 deg at 25 °C/D (c = 1.2 in ethanol) |
| Other Experimental Properties | Crystals from 3-pentanone + methanol (10:1). MW: 490.96. MP: 188-190 °C. Specific optical rotation: -141.0 deg at 25 °C/D (c = 0.9 in ethanol). Soluble in water, ethanol, methanol |
COMPUTED DESCRIPTORS
| Molecular Weight | 424.5 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Exact Mass | 424.19982200 g/mol |
| Monoisotopic Mass | 424.19982200 g/mol |
| 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 |
PRODUCT INTRODUCTION
description
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 a benzazepine, a dicarboxylic acid monoester, an ethyl ester and a lactam. It is functionally related to a benazeprilat. It is a conjugate base of a benazepril(1+).