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Product Overview

Product Code

TRC-E521512

Product Format

Neat

Molecular Formula

C23 D4 H23 Cl O7

Molecular Weight

454.934

API Family

Empagliflozin

Product Categories

TRC, Drugs, Stable isotopes, Stable Isotope Labelled Analytical Standards, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

864070-44-0

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Empagliflozin (Tetrahydrofuranyl-d4)

Molecular Formula

C23 D4 H23 Cl O7

Molecular Weight

454.934

Accurate Mass

454.17

SMILES

OC[C@H]1O[C@@H](C2=CC(CC3=C([H])C([H])=C(O[C@@H]4C([2H])([2H])OC([2H])([2H])C4)C([H])=C3[H])=C(Cl)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

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

Unlabelled CAS Number

864070-44-0

SIL Type

Deuterium

Product Data

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)

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Chemical Data

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