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86541-75-5

86541-75-5 structural image
Product Name: Benazepril
Formula: C24H28N2O5
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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+).

RELATED SUPPLIERS

Alfa Omega Pharma

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product:86541-75-5 Benazepril 98%
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