Product Code

TRC-C252004

Product Format

Neat

Molecular Formula

13C6 C11 H14 F3 N3 O2 S

Molecular Weight

387.328

Product Categories

Cyclooxygenase, Pain and Inflammation, Stable isotopes, TRC

Product Type

Stable Isotope Labelled

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Celecoxib-13C6

Molecular Formula

13C6 C11 H14 F3 N3 O2 S

Molecular Weight

387.328

Accurate Mass

387.096

SMILES

Cc1ccc(cc1)c2cc(nn2[13c]3[13cH][13cH][13c]([13cH][13cH]3)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)/i6+1,7+1,8+1,9+1,13+1,14+1

IUPAC

4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide

SIL Type

Carbon

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Celecoxib-13C6

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