Analyte Name

Bexagliflozin Ethylene-D4

Molecular Formula

C24H25D4ClO7

Molecular Weight

468.96

Accurate Mass

468.1853

SMILES

ClC1=C(C=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1)CC3=CC=C(OC([2H])([2H])C([2H])([2H])OC4CC4)C=C3

InChI

InChI=1S/C24H29ClO7/c25-19-8-3-15(24-23(29)22(28)21(27)20(13-26)32-24)12-16(19)11-14-1-4-17(5-2-14)30-9-10-31-18-6-7-18/h1-5,8,12,18,20-24,26-29H,6-7,9-11,13H2/t20-,21-,22+,23-,24+/m1/s1/i9D2,10D2

IUPAC

(2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-(2-cyclopropoxyethoxy-1,1,2,2-d4)benzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat