Products 544686-21-7

CAS 544686-21-7 appears in our catalog under these names: Celecoxib-d7, Celecoxib-d7 (tolyl-d7), 99 atom % D, min 97% Chemical Purity, Celecoxib-d7, >95% (HPLC), Celecoxib–d7, Celecoxib-d7, 99.58%. Offered by: Chemat Brand, CDN, TRC, GLPBio, Biosynth. Available pack sizes: on request, 0,01g, 0,005g, 10mg, 1mg, 5mg, 500μg, 25mg.

Structural formula: {0} (CAS {1})

4-[5-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CAS 544686-21-7) is a chemical compound with the molecular formula C17H14F3N3O2S and a molecular weight of 388.4 g/mol. IUPAC name: 4-[5-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide. InChIKey: RZEKVGVHFLEQIL-AAYPNNLASA-N.

Identity
Molecular formulaC17H14F3N3O2S
Molecular weight388.4 g/mol
IUPAC name4-[5-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
InChIKeyRZEKVGVHFLEQIL-AAYPNNLASA-N
SMILES[2H]C1=C(C(=C(C(=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)[2H])[2H])C([2H])([2H])[2H])[2H]

Computed by PubChem (NCBI)