CHEBI:73038 - parecoxib

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ChEBI Name parecoxib
ChEBI ID CHEBI:73038
Definition An N-acylsulfonamide resulting from the formal condensation of valdecoxib with propionic acid. It is a prodrug for valdecoxib.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C19H18N2O4S
Net Charge 0
Average Mass 370.42200
Monoisotopic Mass 370.099
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
SMILES CCC(=O)NS(=O)(=O)c1ccc(cc1)-c1c(C)onc1-c1ccccc1
Roles Classification
Biological Role(s): cyclooxygenase 2 inhibitor
A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
non-narcotic analgesic
A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
Application(s): non-narcotic analgesic
A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
non-steroidal anti-inflammatory drug
An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.
prodrug
A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
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ChEBI Ontology
Outgoing parecoxib (CHEBI:73038) has functional parent valdecoxib (CHEBI:63634)
parecoxib (CHEBI:73038) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
parecoxib (CHEBI:73038) has role non-narcotic analgesic (CHEBI:35481)
parecoxib (CHEBI:73038) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
parecoxib (CHEBI:73038) has role prodrug (CHEBI:50266)
parecoxib (CHEBI:73038) is a N-sulfonylcarboxamide (CHEBI:90852)
parecoxib (CHEBI:73038) is a isoxazoles (CHEBI:55373)
IUPAC Name
N-{[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}propanamide
INNs Sources
parécoxib WHO MedNet
parecoxib WHO MedNet
parecoxib WHO MedNet
parecoxibum WHO MedNet
Synonyms Sources
N-((p-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)propionamide ChemIDplus
SC 69124 ChemIDplus
SC-69124 ChemIDplus
Manual Xrefs Databases
2063 DrugCentral
D02709 KEGG DRUG
LSM-5316 LINCS
Parecoxib Wikipedia
PXB PDBeChem
View more database links
Registry Numbers Types Sources
198470-84-7 CAS Registry Number ChemIDplus
198470-84-7 CAS Registry Number KEGG DRUG
8640266 Reaxys Registry Number Reaxys
Last Modified
22 February 2017