Dapagliflozin hydroxy Impurity (Mixture of Diastereomers)

Analyte Name

(1S)-1,5-anhydro-1-C-[4-Chloro-3-[(4-ethoxyphenyl)hydroxymethyl]phenyl]-D-glucitol

CAS Number

1204222-85-4

Molecular Formula

C21 H25 Cl O7

Molecular Weight

424.872

Accurate Mass

424.1289

SMILES

CCOc1ccc(cc1)C(O)c2cc(ccc2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

InChI

InChI=1S/C21H25ClO7/c1-2-28-13-6-3-11(4-7-13)17(24)14-9-12(5-8-15(14)22)21-20(27)19(26)18(25)16(10-23)29-21/h3-9,16-21,23-27H,2,10H2,1H3/t16-,17?,18-,19+,20-,21+/m1/s1

IUPAC

(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)-hydroxymethyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Dapagliflozin

Purity

>95% (HPLC)