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86541-78-8

86541-78-8 structural image
Product Name: BENAZEPRILAT
Formula: C22H24N2O5
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COMPUTED DESCRIPTORS

Molecular Weight 396.4 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 8
Exact Mass 396.16852187 g/mol
Monoisotopic Mass 396.16852187 g/mol
Topological Polar Surface Area 107 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 590
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

Benazeprilat is a benzazepine that is 1,3,4,5-tetrahydro-2H-1-benzazepin-2-one in which the hydrogen attached to the nitrogen is replaced by a carboxy methyl group and in which the 3-pro-S hydrogen is replaced by the amino group of (2S)-2-amino-4-phenylbutanoic acid. An angiotensin-converting enzyme inhibitor, it is used as its monoester prodrug benazepril in the treatment of hypertension and heart failure. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor. It is a benzazepine, a dicarboxylic acid and a lactam.