Analyte Name

3-Descyano 3-Bromo-febuxostat-d9

Molecular Formula

C15 D9 H7 Br N O3 S

Molecular Weight

379.317

Accurate Mass

378.06

SMILES

[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])Oc1ccc(cc1Br)c2nc(C)c(s2)C(=O)O

InChI

InChI=1S/C15H16BrNO3S/c1-8(2)7-20-12-5-4-10(6-11(12)16)14-17-9(3)13(21-14)15(18)19/h4-6,8H,7H2,1-3H3,(H,18,19)/i1D3,2D3,7D2,8D

IUPAC

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

Unlabelled CAS Number

144060-40-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat