Name: Dapagliflozin 3-O-beta-D-Glucuronide
Brand: TRC
SKU: TRC-D185380

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Product Overview

Product Code

TRC-D185380

CAS Number

1351438-75-9

Product Format

Neat

Molecular Formula

C27 H33 Cl O12

Molecular Weight

584.997

API Family

Dapagliflozin

Product Categories

TRC - Toronto Research Chemicals, Impurity Reference Materials

Product Type

Impurity, Metabolite

Documentation

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Product Information

Analyte Name

Dapagliflozin 3-O-beta-D-Glucuronide

CAS Number

1351438-75-9

Molecular Formula

C27 H33 Cl O12

Molecular Weight

584.997

Accurate Mass

584.166

SMILES

CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)[C@H]3O)cc1

InChI

InChI=1S/C27H33ClO12/c1-2-37-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)28)23-22(34)24(18(30)17(11-29)38-23)39-27-21(33)19(31)20(32)25(40-27)26(35)36/h3-8,10,17-25,27,29-34H,2,9,11H2,1H3,(H,35,36)/t17-,18-,19+,20+,21-,22+,23+,24+,25+,27-/m1/s1

IUPAC

(2S,3S,4S,5R,6R)-6-[(2S,3S,4R,5R,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Metabolite

Product Format

Neat

API Family

Dapagliflozin

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