Parecoxib
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpropanamide
Molecular Identity
Parecoxib
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpropanamide
PubChem CID: 119828
Parecoxib is an N-acylsulfonamide resulting from the formal condensation of valdecoxib with propionic acid. It is a prodrug for valdecoxib. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, a prodrug and a cyclooxygenase 2 inhibitor. It is a member of isoxazoles and a N-sulfonylcarboxamide. It is functionally related to a valdecoxib.
2D Structure
Properties
C19H18N2O4S
Molecular Formula
370.40
Molecular Weight
g/mol
370.0987
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
97.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
575
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Parecoxib198470-84-7SC-69124XapitSC 69124Rayzonparecoxibum9TUW81Y3CEN-((p-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)propionamideCHEBI:73038Propanamide, N-[[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]-N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpropanamideDTXSID1044229Propanamide, N-((4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)-N-{[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}propanamide
Data from PubChem (NCBI)
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Trials and conditions connected to Parecoxib
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