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53808-88-1

53808-88-1 structural image
Product Name: lonazolac
Formula: C17H13ClN2O2
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COMPUTED DESCRIPTORS

Molecular Weight 312.7 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 312.0665554 g/mol
Monoisotopic Mass 312.0665554 g/mol
Topological Polar Surface Area 55.1 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 379
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

Lonazolac is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-(4-chlorophenyl)-1-phenylpyrazol-4-yl group. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor and an antineoplastic agent. It is a monocarboxylic acid, a member of pyrazoles and a member of monochlorobenzenes. It is functionally related to an acetic acid. It is a conjugate acid of a lonazolac(1-).