Dapagliflozin-d5

Analyte Name

Dapagliflozin-d5

CAS Number

1204219-80-6

Molecular Formula

C21H20D5ClO6

Molecular Weight

413.9

Accurate Mass

413.17

SMILES

ClC(C=CC([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)=C2)=C2CC3=CC=C(OC([2H])([2H])C([2H])([2H])[2H])C=C3

InChI

InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1/i1D3,2D2

IUPAC

(2S,3R,4R,5S,6R)-2-(4-Chloro-3-(4-(ethoxy-d5)benzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Unlabelled CAS Number

461432-26-8

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Dapagliflozin

Purity

>95% (HPLC)