Lumiracoxib
2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid
Molecular Identity
Lumiracoxib
2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid
PubChem CID: 151166
Lumiracoxib is an amino acid that is phenylacetic acid which is substituted at position 2 by the nitrogen of 2-chloro-6-fluoroaniline and at position 5 by a methyl group. A highly selective cyclooxygenase 2 inhibitor, it was briefly used for the treatment of osteoarthritis, but was withdrawn due to concersns of hepatotoxicity. It has a role as a non-steroidal anti-inflammatory drug and a cyclooxygenase 2 inhibitor. It is a monocarboxylic acid, an amino acid, an organochlorine compound, an organofluorine compound and a secondary amino compound.
2D Structure
Properties
C15H13ClFNO2
Molecular Formula
293.72
Molecular Weight
g/mol
293.0619
Exact Mass
Da
4.2
XLogP
Drug-like (Lipinski: < 5)
49.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
342
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Lumiracoxib220991-20-8PrexigeCOX-1892-(2-((2-chloro-6-fluorophenyl)amino)-5-methylphenyl)acetic acidCOX189lumiracoxibumDTXSID9049035V91T9204HUDTXCID4028961CHEBI:73044Benzeneacetic acid, 2-((2-chloro-6-fluorophenyl)amino)-5-methyl-2-{2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acidBenzeneacetic acid, 2-[(2-chloro-6-fluorophenyl)amino]-5-methyl-2-[2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl]acetic acid
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Lumiracoxib
Loading drug network...