Febuxostat-d9

Analyte Name

Febuxostat-d9

CAS Number

1246819-50-0

Molecular Formula

C16 D9 H7 N2 O3 S

Molecular Weight

325.43

Accurate Mass

325.145

SMILES

[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])Oc1ccc(cc1C#N)c2nc(C)c(s2)C(=O)O

InChI

InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)/i1D3,2D3,8D2,9D

IUPAC

2-[3-cyano-4-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

Unlabelled CAS Number

144060-53-7

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Febuxostat

Purity

>95% (HPLC)