Firocoxib-d4

Analyte Name

Firocoxib cyclopropyl-2,2,3,3-d4

CAS Number

1325700-11-5

Molecular Formula

C17 2H4 H16 O5 S

Molecular Weight

340.43

Accurate Mass

340.1283

SMILES

[2H]C1([2H])C(COC2=C(c3ccc(cc3)S(=O)(=O)C)C(C)(C)OC2=O)C1([2H])[2H]

InChI

InChI=1S/C17H20O5S/c1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3/i4D2,5D2

IUPAC

5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-[(2,2,3,3-tetradeuteriocyclopropyl)methoxy]furan-2-one

Unlabelled CAS Number

189954-96-9

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

Firocoxib

Purity

>95% (HPLC)