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Product Overview

Product Code

TRC-C179000

CAS Number

2100872-88-4

Product Format

Neat

Molecular Formula

C21 H27 Cl O7

Molecular Weight

426.888

API Family

Dapagliflozin

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity, Metabolite

Documentation

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Product Information

Chemical Data

Analyte Name

1-C-[4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-D-glucitol

CAS Number

2100872-88-4

Molecular Formula

C21 H27 Cl O7

Molecular Weight

426.888

Accurate Mass

426.145

SMILES

CCOc1ccc(Cc2cc(ccc2Cl)C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1

InChI

InChI=1S/C21H27ClO7/c1-2-29-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)18(25)20(27)21(28)19(26)17(24)11-23/h3-8,10,17-21,23-28H,2,9,11H2,1H3/t17-,18?,19-,20+,21+/m1/s1

IUPAC

(2S,3R,4R,5R)-1-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]hexane-1,2,3,4,5,6-hexol

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Dapagliflozin

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