Analyte Name

10-Hydroxy Warfarin Beta-D-Glucuronide-D5

Molecular Formula

C25 D5 H19 O11

Molecular Weight

505.482

Accurate Mass

505.163

SMILES

[2H]c1c([2H])c([2H])c(C(C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)C(=O)C)C3=C(O)c4ccccc4OC3=O)c([2H])c1[2H]

InChI

InChI=1S/C25H24O11/c1-11(26)21(35-25-20(30)18(28)19(29)22(36-25)23(31)32)15(12-7-3-2-4-8-12)16-17(27)13-9-5-6-10-14(13)34-24(16)33/h2-10,15,18-22,25,27-30H,1H3,(H,31,32)/t15?,18-,19-,20+,21?,22-,25+/m0/s1/i2D,3D,4D,7D,8D

IUPAC

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-(4-hydroxy-2-oxochromen-3-yl)-3-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)butan-2-yl]oxyoxane-2-carboxylic acid

SIL Type

Deuterium

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat