Preferred Name

celecoxib

Synonyms

Celebrex

celecoxib

celecoxibum

4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide

Celecoxib

p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide

Definitions

A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-sulfamoylphenyl, trifluoromethyl and p-tolyl groups, respectively. A cyclooxygenase-2 inhibitor, it is used in the treatment of arthritis.

ID

http://purl.obolibrary.org/obo/CHEBI_41423

charge

0

database_cross_reference

DrugBank:DB00482

PDBeChem:CEL

KEGG:C07589

PMID:22419293

PMID:19137124

Wikipedia:Celecoxib

PMID:28166217

PMID:23296687

CAS:184007-95-2

PMID:18405470

PMID:17983259

CAS:169590-42-5

PMID:22971036

HMDB:HMDB0005014

LINCS:LSM-2032

PMID:21955617

PMID:19203891

Reaxys:8280770

PMID:22141388

KEGG:D00567

PMID:23506230

Drug_Central:568

formula

C17H14F3N3O2S

has role

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

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

has_alternative_id

CHEBI:41418

CHEBI:3520

has_exact_synonym

4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide

Celecoxib

has_obo_namespace

chebi_ontology

has_related_synonym

Celebrex

celecoxib

celecoxibum

p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide

id

CHEBI:41423

in_subset

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

inchi

InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)

inchikey

RZEKVGVHFLEQIL-UHFFFAOYSA-N

label

celecoxib

mass

381.37200

monoisotopicmass

381.076

notation

CHEBI:41423

prefLabel

celecoxib

smiles

Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F

textual definition

A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-sulfamoylphenyl, trifluoromethyl and p-tolyl groups, respectively. A cyclooxygenase-2 inhibitor, it is used in the treatment of arthritis.

subClassOf

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

http://purl.obolibrary.org/obo/CHEBI_26410

http://purl.obolibrary.org/obo/CHEBI_37143

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Delete Mapping To Ontology Source
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