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 A highly selective cyclooxygenase 2 inhibitor, it was briefly used for the treatment of osteoarthritis, but was withdrawn due to concersns of hepatotoxicity.

Synonyms: {2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid

This is just here as a test because I lose it

Term information

Subsets

3_STAR

charge

0

database cross reference

HMDB:HMDB0015403

Drug_Central:1618

PMID:22069133

PMID:22621454

PMID:22732767

PMID:15311562

PMID:21688392

Reaxys:9784107

PMID:14965322

PDBeChem:LUR

Wikipedia:Lumiracoxib

PMID:17380211

CAS:220991-20-8

PMID:15456339

PMID:19800190

KEGG:D03714

PMID:22142375

DrugBank:DB01283

formula

C15H13ClFNO2

has related synonym

COX189

Prexige

2-((2-chloro-6-fluorophenyl)amino)-5-methylbenzeneacetic acid

lumiracoxibum

COX 189

COX-189

lumiracoxib

has obo namespace

chebi_ontology

id

CHEBI:73044

imported from

http://purl.obolibrary.org/obo/chebi.owl

inchi

InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)

inchikey

KHPKQFYUPIUARC-UHFFFAOYSA-N

mass

293.72100

monoisotopicmass

293.06188

smiles

Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1

Term relations