Preferred Name

rofecoxib

Synonyms

Rofecoxib

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

rofecoxibum

rofecoxib

Ceoxx

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

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

Vioxx

Definitions

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 A selective cyclooxygenase 2 inhibitor, it was used from 1999 to 2004 for the treatment of ostoarthritis, but was withdrawn following concerns about an associated increased risk of heart attack and stroke.

ID

http://purl.obolibrary.org/obo/CHEBI_8887

charge

0

database_cross_reference

CAS:162011-90-7

Wikipedia:Rofecoxib

LINCS:LSM-2482

PMID:12069696

PMID:28166217

KEGG:D00568

Beilstein:8269007

PMID:10859630

PMID:20162413

Drug_Central:2397

PMID:16934051

DrugBank:DB00533

KEGG:C07590

PMID:11014111

Reaxys:8269007

definition

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 A selective cyclooxygenase 2 inhibitor, it was used from 1999 to 2004 for the treatment of ostoarthritis, but was withdrawn following concerns about an associated increased risk of heart attack and stroke.

formula

C17H14O4S

has exact synonym

Rofecoxib

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

has role

http://purl.obolibrary.org/obo/CHEBI_50629

http://purl.obolibrary.org/obo/CHEBI_35480

http://purl.obolibrary.org/obo/CHEBI_35475

has_obo_namespace

chebi_ontology

has_related_synonym

rofecoxibum

rofecoxib

Ceoxx

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

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

Vioxx

id

CHEBI:8887

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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

label

rofecoxib

mass

314.35600

monoisotopicmass

314.06128

notation

CHEBI:8887

prefLabel

rofecoxib

smiles

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

subClassOf

http://purl.obolibrary.org/obo/CHEBI_35850

http://purl.obolibrary.org/obo/CHEBI_50523

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Delete Mapping To Ontology Source
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http://www.co-ode.org/ontologies/galen#Rofecoxib GALEN LOOM