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31879-05-7

31879-05-7 structural image
Product Name: FENOPROFEN
Formula: C15H14O3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form VISCOUS OIL
Boiling Point 168-171 °C @ 0.11 MM HG
Melting Point 168-171
Solubility Slight (calcium salt)
LogP 3.1
Refractive Index INDEX OF REFRACTION: 1.5742 @ 25 °C/D
Dissociation Constants 4.5
Kovats Retention Index 1969 1949

COMPUTED DESCRIPTORS

Molecular Weight 242.27 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 242.094294304 g/mol
Monoisotopic Mass 242.094294304 g/mol
Topological Polar Surface Area 46.5 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 271
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Fenoprofen is a monocarboxylic acid that is propanoic acid in which one of the hydrogens at position 2 is substituted by a 3-phenoxyphenyl group. A non-steroidal anti-inflammatory drug, the dihydrate form of the calcium salt is used for the management of mild to moderate pain and for the relief of pain and inflammation associated with disorders such as arthritis. It is pharmacologically similar to aspirin, but causes less gastrointestinal bleeding. It has a role as a non-steroidal anti-inflammatory drug, a cyclooxygenase 2 inhibitor, a cyclooxygenase 1 inhibitor, an antipyretic, a non-narcotic analgesic and a drug allergen. It is a conjugate acid of a fenoprofen(1-).