Celecoxib-d7

Analyte Name

Celecoxib-d7

CAS Number

544686-21-7

Molecular Formula

C17 D7 H7 F3 N3 O2 S

Molecular Weight

388.415

Accurate Mass

388.12

SMILES

[2H]c1c([2H])c(c([2H])c([2H])c1c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F)C([2H])([2H])[2H]

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)/i1D3,2D,3D,4D,5D

IUPAC

4-[5-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Unlabelled CAS Number

169590-42-5

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Celecoxib

Purity

>95% (HPLC)