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Product Overview

Product Code

TRC-S358115

CAS Number

1018899-04-1

Product Format

Neat

Molecular Formula

C21 H25 Cl O5 S

Molecular Weight

424.938

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , Chiral catalysts, ligands, & reagents

Product Type

Synthesis Tools

Product Information

Chemical Data

Analyte Name

Sotagliflozin

CAS Number

1018899-04-1

Molecular Formula

C21 H25 Cl O5 S

Molecular Weight

424.938

Accurate Mass

424.111

SMILES

CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)cc1

InChI

InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1

IUPAC

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

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat
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