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83602-05-5

83602-05-5 structural image
Product Name: Spiraprilat
Formula: C20H26N2O5S2
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COMPUTED DESCRIPTORS

Molecular Weight 438.6 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 8
Exact Mass 438.12831428 g/mol
Monoisotopic Mass 438.12831428 g/mol
Topological Polar Surface Area 158 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 620
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
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

Spiraprilat is an azaspiro compound that is spirapril in which the ethyl ester group has been hydrolysed to the corresponding carboxylic acid group. It is the active metabolite of the angiotensin-converting enzyme (ACE) inhibitor spirapril. It has a role as an antihypertensive agent, an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor and a drug metabolite. It is an azaspiro compound, a dicarboxylic acid, a dipeptide, a dithioketal, a pyrrolidinecarboxylic acid, a secondary amino compound and a tertiary carboxamide.