A butenolide that is furan-2(5H)-one substituted by a phenyl group at position 3 and by a p-(methylsulfonyl)phenyl group at position 4. A selective cyclooxygenase 2 inhibitor, it was used from 1999 to 2004 for the treatment of ostoarthritis, but was withdrawn following concerns about an associated increased risk of heart attack and stroke.

Synonyms: Rofecoxib 4-[4-(methylsulfonyl)phenyl]-3-phenylfuran-2(5H)-one

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:20162413

PMID:16934051

Beilstein:8269007

LINCS:LSM-2482

PMID:12069696

PMID:10859630

PMID:28166217

CAS:162011-90-7

Drug_Central:2397

KEGG:C07590

DrugBank:DB00533

Wikipedia:Rofecoxib

PMID:11014111

KEGG:D00568

Reaxys:8269007

formula

C17H14O4S

has related synonym

rofecoxib

Vioxx

Ceoxx

3-phenyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone

4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone

rofecoxibum

has obo namespace

chebi_ontology

id

CHEBI:8887

imported from

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

inchi

InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3

inchikey

RZJQGNCSTQAWON-UHFFFAOYSA-N

mass

314.35600

monoisotopicmass

314.06128

smiles

CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1

Term relations

Subclass of: