loading...| Preferred Name | rofecoxib | |
| 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 |
|
| 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 A selective cyclooxygenase 2 inhibitor, it was used from 1999 to 2004 for the treatment of ostoarthritis, but was withdrawn following concerns about an associated increased risk of heart attack and stroke.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 |
|
| alternative label |
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 |
|
| 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 A selective cyclooxygenase 2 inhibitor, it was used from 1999 to 2004 for the treatment of ostoarthritis, but was withdrawn following concerns about an associated increased risk of heart attack and stroke.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 characteristic |
http://purl.obolibrary.org/obo/CHEBI_50629 |
|
| has exact synonym |
Rofecoxib 4-[4-(methylsulfonyl)phenyl]-3-phenylfuran-2(5H)-one |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_50629 |
|
| 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 | ||
| 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 |
|
| note |
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. |
|
| preferred label |
rofecoxib |
|
| prefLabel |
rofecoxib |
|
| smiles |
CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |
|
| subClassOf |