Cell Culture Ontology

Last uploaded: July 23, 2014
Preferred Name

Synonyms

Celecoxib

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

celecoxib

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

Celebrex

celecoxibum

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

SNOMEDCT:116081000

MeSH:C105934

NCIt:C1728

CAS:184007-95-2

PMID:27756840

PMID:22141388

PMID:28166217

PMID:21348927

Reaxys:8280770

LINCS:LSM-2032

HMDB:HMDB0005014

PMID:23296687

PMID:19955429

PMID:20709553

DrugBank:DB00482

Drug_Central:568

PMID:19137124

FooDB:FDB023586

KEGG:C07589

PMID:22419293

PMID:22971036

CAS:169590-42-5

PMID:18405470

Chemspider:2562

PMID:16580269

PMID:14736236

PMID:21955617

KEGG:D00567

PMID:23506230

PDBeChem:CEL

PMID:19203891

Wikipedia:Celecoxib

PMID:17983259

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.

formula

C17H14F3N3O2S

has_alternative_id

CHEBI:41418

CHEBI:3520

has_exact_synonym

Celecoxib

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

has_obo_namespace

chebi_ontology

has_related_synonym

celecoxib

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

Celebrex

celecoxibum

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

381.370

monoisotopicmass

381.07588

notation

CHEBI:41423

smiles

CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F

subClassOf

http://purl.obolibrary.org/obo/CHEBI_24532

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