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34675-84-8

34675-84-8 structural image
Product Name: CETRAXATE, HYDROCHLORIDE
Formula: C17H23NO4
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COMPUTED DESCRIPTORS

Molecular Weight 305.4 g/mol
XLogP3 -0.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 305.16270821 g/mol
Monoisotopic Mass 305.16270821 g/mol
Topological Polar Surface Area 89.6 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 369
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

Cetraxate is a cyclohexanecarboxylate ester that consists of 4-(2-carboxyethyl)phenyl cyclohexanecarboxylate bearing an aminomethyl substituent at the 4-position. It has a role as an anti-ulcer drug. It is a tautomer of a cetraxate zwitterion.