The Drug Ontology

Last uploaded: November 15, 2024
Preferred Name

parecoxib
Synonyms

N-((p-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)propionamide

parecoxibum

SC 69124

SC-69124

parecoxib

N-{[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}propanamide

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

alternative label

N-((p-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)propionamide

parecoxibum

SC 69124

SC-69124

parecoxib

N-{[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}propanamide

charge

0

database_cross_reference

Drug_Central:2063

Wikipedia:Parecoxib

CAS:198470-84-7

KEGG:D02709

LINCS:LSM-5316

Reaxys:8640266

PDBeChem:PXB

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

http://purl.obolibrary.org/obo/CHEBI_63634

has role

http://purl.obolibrary.org/obo/CHEBI_50629

http://purl.obolibrary.org/obo/CHEBI_35475

http://purl.obolibrary.org/obo/CHEBI_50266

http://purl.obolibrary.org/obo/CHEBI_35481

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

N-((p-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)propionamide

parecoxibum

SC 69124

SC-69124

parecoxib

has_RxCUI

279950

id

CHEBI:73038

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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

subClassOf

http://purl.obolibrary.org/obo/CHEBI_55373

http://purl.obolibrary.org/obo/CHEBI_90852

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