loading...| Preferred Name | valdecoxib | |
| Synonyms |
p-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide valdecoxibum 4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide Bextra valdecoxib 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide |
|
| Definitions |
A member of the class of isoxazoles that is isoxazole which is substituted at positions 3, 4 and 5 by phenyl, p-sulfamoylphenyl and methyl groups, respectively. A selective cyclooxygenase 2-inhibitor, it used as a nonsteroidal anti-inflammatory drug (NSAID) for the treatment of arthritis from 2001 until 2005, when it was withdrawn following concerns of an associated increased risk of heart attack and stroke. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_63634 |
|
| alternative term |
p-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide valdecoxibum 4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide Bextra valdecoxib 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide |
|
| bearer of |
http://purl.obolibrary.org/obo/CHEBI_35493 http://purl.obolibrary.org/obo/CHEBI_50629 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:181695-72-7 PMID:20467258 PMID:21073910 Drug_Central:2799 PDBeChem:COX PMID:21769548 Wikipedia:Valdecoxib PMID:21720517 KEGG:D02709 LINCS:LSM-5305 HMDB:HMDB0005033 PMID:20717044 DrugBank:DB00580 Reaxys:8563786 |
|
| definition |
A member of the class of isoxazoles that is isoxazole which is substituted at positions 3, 4 and 5 by phenyl, p-sulfamoylphenyl and methyl groups, respectively. A selective cyclooxygenase 2-inhibitor, it used as a nonsteroidal anti-inflammatory drug (NSAID) for the treatment of arthritis from 2001 until 2005, when it was withdrawn following concerns of an associated increased risk of heart attack and stroke. |
|
| formula |
C16H14N2O3S |
|
| has_alternative_id |
CHEBI:41662 |
|
| has_exact_synonym |
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
p-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide valdecoxibum 4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide Bextra valdecoxib |
|
| id |
CHEBI:63634 |
|
| in_subset | ||
| inchi |
InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) |
|
| inchikey |
LNPDTQAFDNKSHK-UHFFFAOYSA-N |
|
| label |
valdecoxib |
|
| mass |
314.35900 |
|
| monoisotopicmass |
314.07251 |
|
| notation |
CHEBI:63634 |
|
| prefLabel |
valdecoxib |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_35493 http://purl.obolibrary.org/obo/CHEBI_50629 |
|
| smiles |
Cc1onc(-c2ccccc2)c1-c1ccc(cc1)S(N)(=O)=O |
|
| subClassOf |