Preferred Name

valdecoxib

Synonyms

4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide

valdecoxib

valdecoxibum

p-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide

4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide

Bextra

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used as a nonsteroidal anti-inflammatory drug (NSAID) for the treatment of arthritis from 2001 until 2005, when it was withdrawn following concerns of an associated increased risk of heart attack and stroke.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

charge

0

database_cross_reference

LINCS:LSM-5305

PMID:21720517

PMID:21073910

PMID:20467258

HMDB:HMDB0005033

Reaxys:8563786

KEGG:D02709

PDBeChem:COX

PMID:20717044

DrugBank:DB00580

Wikipedia:Valdecoxib

Drug_Central:2799

PMID:21769548

CAS:181695-72-7

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used as a nonsteroidal anti-inflammatory drug (NSAID) for the treatment of arthritis from 2001 until 2005, when it was withdrawn following concerns of an associated increased risk of heart attack and stroke.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 role

http://purl.obolibrary.org/obo/CHEBI_35493

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

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

http://purl.obolibrary.org/obo/CHEBI_35842

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

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

valdecoxib

valdecoxibum

p-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide

4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide

Bextra

id

CHEBI:63634

in_subset

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

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

smiles

Cc1onc(-c2ccccc2)c1-c1ccc(cc1)S(N)(=O)=O

treeView

http://purl.obolibrary.org/obo/CHEBI_35358

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

subClassOf

http://purl.obolibrary.org/obo/CHEBI_35358

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

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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_63634 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_63634 FIDEO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_63634 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_63634 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_63634 DRON SAME_URI
http://sbmi.uth.tmc.edu/ontology/ochv#52318 OCHV LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C406224 RH-MESH LOOM
http://purl.bioontology.org/ontology/RXNORM/278567 RXNORM LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0913246 OCHV LOOM
http://purl.obolibrary.org/obo/CHEBI_63634 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_63634 FIDEO LOOM
http://purl.obolibrary.org/obo/CHEBI_63634 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_63634 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_63634 DRON LOOM
http://purl.obolibrary.org/obo/NCIT_C1869 BERO LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026377 PMAPP-PMO LOOM
http://purl.obolibrary.org/obo/DRON_00018583 ODNAE LOOM
http://purl.bioontology.org/ontology/NDDF/009503 NDDF LOOM
http://purl.bioontology.org/ontology/LNC/LP171648-1 LOINC LOOM
http://scai.fraunhofer.de/AlzheimerOntology#valdecoxib ADO LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000148721 ODAE LOOM
http://purl.bioontology.org/ontology/MESH/C406224 MESH LOOM
http://purl.bioontology.org/ontology/ATC/M01AH03 ATC LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148721 NDFRT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1869 NCIT LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000038320 PDQ LOOM
http://www.semanticweb.org/admin/ontologies/2022/7/MIO:03069 MIO LOOM
http://purl.bioontology.org/ontology/VANDF/4021284 VANDF LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/385584001 SNOMEDCT LOOM
http://www.drugbank.ca/drugs/DB00580 FTC LOOM
https://go.drugbank.com/drugs/DB00580 MDM LOOM