Link to this page
Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
Jump to:
| Id | http://purl.obolibrary.org/obo/CHEBI_8887
http://purl.obolibrary.org/obo/CHEBI_8887
|
|---|---|
| Preferred Name | 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 A selective cyclooxygenase 2 inhibitor, it was used from 1999 to 2004 for the treatment of ostoarthritis, but was withdrawn following concerns about an associated increased risk of heart attack and stroke.
|
| Synonyms |
rofecoxibum
rofecoxib
Ceoxx
3-phenyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone
4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone
Vioxx
Rofecoxib
4-[4-(methylsulfonyl)phenyl]-3-phenylfuran-2(5H)-one
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| 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 A selective cyclooxygenase 2 inhibitor, it was used from 1999 to 2004 for the treatment of ostoarthritis, but was withdrawn following concerns about an associated increased risk of heart attack and stroke. |
|---|---|
| label |
rofecoxib
|
| prefLabel |
rofecoxib
|
| database_cross_reference |
CAS:162011-90-7
Wikipedia:Rofecoxib
LINCS:LSM-2482
PMID:12069696
PMID:28166217
KEGG:D00568
PMID:10859630
PMID:20162413
Drug_Central:2397
PMID:16934051
DrugBank:DB00533
KEGG:C07590
PMID:11014111
Reaxys:8269007
See more
See less
|
| notation |
CHEBI:8887
|
| in_subset | |
| 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
|
| 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
See more
See less
|
| id |
CHEBI:8887
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| formula |
C17H14O4S
|
| subClassOf | |
| inchikey |
RZJQGNCSTQAWON-UHFFFAOYSA-N
|
| mass |
314.35600
|
| monoisotopicmass |
314.06128
|
| type | |
| smiles |
CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
|
| has role | |
| has_exact_synonym |
Rofecoxib
4-[4-(methylsulfonyl)phenyl]-3-phenylfuran-2(5H)-one
|
| treeView |
Add comment
| Delete | Subject | Author | Type | Created |
|---|---|---|---|---|
| No notes to display |