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M  END
> <ID>
CHEBI:41423

> <NAME>
celecoxib

> <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.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41418; CHEBI:3520

> <SYNONYM>
p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide; Celecoxib

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

> <INN>
celecoxibum; celecoxib; celecoxib; celecoxib

> <BRAND_NAME>
Celebrex

> <FORMULA>
C17H14F3N3O2S

> <MASS>
381.370

> <MONOISOTOPIC_MASS>
381.07588

> <CHARGE>
0

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

> <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

> <CAS_REGISTRY_NUMBER>
169590-42-5

> <REAXYS_REGISTRY_NUMBER>
8280770

> <CHEMIDPLUS>
184007-95-2

> <DRUGBANK_ACCESSION>
DB00482

> <KEGG_COMPOUND_ACCESSION>
C07589

> <KEGG_DRUG_ACCESSION>
D00567

> <LINCS_ACCESSION>
LSM-2032

> <NIST_CHEMISTRY_WEBBOOK>
169590-42-5

> <PDBECHEM_ACCESSION>
CEL

> <WIKIPEDIA_ACCESSION>
Celecoxib

> <PUBMED_CITATION>
14736236; 16580269; 17983259; 18405470; 19137124; 19203891; 19955429; 20709553; 21348927; 21955617; 22141388; 22419293; 22971036; 23296687; 23506230; 27756840; 28166217

$$$$