Preferred Name

rofecoxib

Synonyms

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

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

Ceoxx

Rofecoxib

Vioxx

rofecoxibum

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

rofecoxib

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 A selective cyclooxygenase 2 inhibitor, it was used from 1999 to 2004 for the treatment of ostoarthritis, but was withdrawn following concerns about an associated increased risk of heart attack and stroke.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

PMID:10859630

KEGG:D00568

PMID:11014111

Beilstein:8269007

LINCS:LSM-2482

PMID:16934051

Reaxys:8269007

PMID:28166217

PMID:20162413

Wikipedia:Rofecoxib

PMID:12069696

Drug_Central:2397

DrugBank:DB00533

CAS:162011-90-7

KEGG:C07590

formula

C17H14O4S

has role

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

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

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

has_exact_synonym

Rofecoxib

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

has_obo_namespace

chebi_ontology

has_related_synonym

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

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

Ceoxx

Vioxx

rofecoxibum

rofecoxib

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

314.061

notation

CHEBI:8887

prefLabel

rofecoxib

smiles

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

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 A selective cyclooxygenase 2 inhibitor, it was used from 1999 to 2004 for the treatment of ostoarthritis, but was withdrawn following concerns about an associated increased risk of heart attack and stroke.

subClassOf

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

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

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http://purl.bioontology.org/ontology/NDFRT/N0000148611 NDFRT LOOM
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http://purl.bioontology.org/ontology/VANDF/4021160 VANDF LOOM
http://purl.obolibrary.org/obo/CHEBI_8887 BIOMODELS LOOM
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http://purl.bioontology.org/ontology/PDQ/CDR0000038568 PDQ LOOM
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http://www.drugbank.ca/drugs/DB00533 FTC LOOM
http://bmi.utah.edu/ontologies/hfontology/C0762662 HFO LOOM