Product Code

TRC-C251013

CAS Number

544686-18-2

Product Format

Neat

Molecular Formula

C17 D3 H11 F3 N3 O2 S

Molecular Weight

384.3907

Product Categories

Enzyme activators, TRC

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

169590-42-5

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Celecoxib-D3 (methyl-D3)

CAS Number

544686-18-2

Molecular Formula

C17 D3 H11 F3 N3 O2 S

Molecular Weight

384.3907

Accurate Mass

384.0947

SMILES

[2H]C([2H])([2H])c1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)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)/i1D3

IUPAC

4-[5-[4-(trideuteriomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Unlabelled CAS Number

169590-42-5

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

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Celecoxib-d3 (methyl-d3)

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