Empagliflozin-d4

Analyte Name

Empagliflozin-D4

CAS Number

2749293-95-4

Molecular Formula

C23 D4 H23 Cl O7

Molecular Weight

454.934

Accurate Mass

454.17

SMILES

[2H]c1c([2H])c(O[C@H]2CCOC2)c([2H])c([2H])c1Cc3cc(ccc3Cl)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

InChI

InChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1/i1D,2D,4D,5D

IUPAC

(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[2,3,5,6-tetradeuterio-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

API Family

Empagliflozin

Purity

>95% (HPLC)