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53716-49-7

53716-49-7 structural image
Product Name: Carprofen
Formula: C15H12ClNO2
Synonyms: 6-Chloro-α-methyl-9H-carbazole-2-acetic acid;CAR;Carprofen
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 195-199
Solubility >41.1 [ug/mL] (The mean of the results at pH 7.4)
LogP 3.8
Collision Cross Section 156.1 Ų [M+H]+ [CCS Type: TW]

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 273.71 g/mol
XLogP3 4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 273.0556563 g/mol
Monoisotopic Mass 273.0556563 g/mol
Topological Polar Surface Area 53.1 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 362
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

Carprofen is propanoic acid in which one of the methylene hydrogens is substituted by a 6-chloro-9H-carbazol-2-yl group. A non-steroidal anti-inflammatory drug, it is no longer used in human medicine but is still used for treatment of arthritis in elderly dogs. It has a role as a non-steroidal anti-inflammatory drug, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor and a photosensitizing agent. It is a member of carbazoles and an organochlorine compound.

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