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 A selective cyclooxygenase 2 inhibitor, it was used from 1999 to 2004 for the treatment of ostoarthritis, but was withdrawn following concerns about an associated increased risk of heart attack and stroke.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

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 A selective cyclooxygenase 2 inhibitor, it was used from 1999 to 2004 for the treatment of ostoarthritis, but was withdrawn following concerns about an associated increased risk of heart attack and stroke.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

314.06128

notation

CHEBI:8887

prefLabel

rofecoxib

smiles

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

treeView

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

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

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
http://purl.bioontology.org/ontology/LNC/LP171636-6 LOINC LOOM
http://purl.obolibrary.org/obo/DRON_00015719 ODNAE LOOM
http://purl.obolibrary.org/obo/DRON_00015719 DRON LOOM
http://scai.fraunhofer.de/AlzheimerOntology#rofecoxib ADO LOOM
http://purl.bioontology.org/ontology/UATC/M01AH02 ATC LOOM
http://doe-generated-ontology.com/OntoAD#C0762662 ONTOAD LOOM
http://purl.bioontology.org/ontology/RXNORM/232158 RXNORM LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C116926 RH-MESH LOOM
http://purl.bioontology.org/ontology/VANDF/4021160 VANDF LOOM
http://purl.obolibrary.org/obo/CHEBI_8887 BIOMODELS LOOM
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http://purl.obolibrary.org/obo/CHEBI_8887 DINTO LOOM
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http://purl.obolibrary.org/obo/CHEBI_8887 EFO LOOM
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http://purl.obolibrary.org/obo/CHEBI_8887 EFO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_8887 NIFSTD LOOM
http://purl.obolibrary.org/obo/CHEBI_8887 NIFSTD SAME_URI
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1832 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1832 NCIT LOOM
http://purl.bioontology.org/ontology/MESH/C116926 MESH LOOM
http://purl.bioontology.org/ontology/NDDF/007787 NDDF LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/387008005 SNOMEDCT LOOM
http://www.co-ode.org/ontologies/galen#Rofecoxib GALEN LOOM
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