loading...| Preferred Name |
parecoxib |
|
| Synonyms |
N-{[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}propanamide SC-69124 SC 69124 parecoxib N-((p-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)propionamide parecoxibum |
|
| Definitions |
An N-acylsulfonamide resulting from the formal condensation of valdecoxib with propionic acid. It is a prodrug for valdecoxib. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_73038 |
|
| charge |
0 |
|
| database_cross_reference |
PDBeChem:PXB Reaxys:8640266 KEGG:D02709 LINCS:LSM-5316 CAS:198470-84-7 Wikipedia:Parecoxib Drug_Central:2063 |
|
| definition |
An N-acylsulfonamide resulting from the formal condensation of valdecoxib with propionic acid. It is a prodrug for valdecoxib. |
|
| formula |
C19H18N2O4S |
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_50629 http://purl.obolibrary.org/obo/CHEBI_35475 |
|
| has_exact_synonym |
N-{[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}propanamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
SC-69124 SC 69124 parecoxib N-((p-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)propionamide parecoxibum |
|
| id |
CHEBI:73038 |
|
| in_subset | ||
| inchi |
InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22) |
|
| inchikey |
TZRHLKRLEZJVIJ-UHFFFAOYSA-N |
|
| label |
parecoxib |
|
| mass |
370.42200 |
|
| monoisotopicmass |
370.09873 |
|
| notation |
CHEBI:73038 |
|
| prefLabel |
parecoxib |
|
| smiles |
CCC(=O)NS(=O)(=O)c1ccc(cc1)-c1c(C)onc1-c1ccccc1 |
|
| treeView | ||
| subClassOf |