A member of the class of isoxazoles that is isoxazole which is substituted at positions 3, 4 and 5 by phenyl, p-sulfamoylphenyl and methyl groups, respectively. A selective cyclooxygenase 2-inhibitor, it used as a nonsteroidal anti-inflammatory drug (NSAID) for the treatment of arthritis from 2001 until 2005, when it was withdrawn following concerns of an associated increased risk of heart attack and stroke.

Synonyms: 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide

This is just here as a test because I lose it

Term information

database cross reference
Subsets

3_STAR

charge

0

database cross reference

PMID:21073910

CAS:181695-72-7

PDBeChem:COX

PMID:20467258

Reaxys:8563786

KEGG:D02709

PMID:20717044

LINCS:LSM-5305

Wikipedia:Valdecoxib

PMID:21769548

HMDB:HMDB0005033

DrugBank:DB00580

Drug_Central:2799

PMID:21720517

formula

C16H14N2O3S

has related synonym

valdecoxib

p-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide

4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide

Bextra

valdecoxibum

has alternative id

CHEBI:41662

has obo namespace

chebi_ontology

id

CHEBI:63634

imported from

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

inchi

InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)

inchikey

LNPDTQAFDNKSHK-UHFFFAOYSA-N

mass

314.35900

monoisotopicmass

314.07251

smiles

Cc1onc(-c2ccccc2)c1-c1ccc(cc1)S(N)(=O)=O

Term relations

Subclass of: