Product Code

TRC-D965830

CAS Number

1327165-94-5

Product Format

Neat

Molecular Formula

C21H25ClO7

Molecular Weight

424.87

Product Categories

TRC, Pharmaceutical and veterinary compounds and metabolites Reference Materials , Pharmaceutical Toxicology Reference Materials , Pharmaceutical, Veterinary Compound & Metabolite Reference Materials , Pharmaceutical and Veterinary Residue Reference Materials

Product Type

Metabolite

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Product Information

Chemical Data

Analyte Name

Descyclopropyl Bexagliflozin

CAS Number

1327165-94-5

Molecular Formula

C21H25ClO7

Molecular Weight

424.87

Accurate Mass

424.13

SMILES

O[C@H]1[C@H](C2=CC(CC3=CC=C(C=C3)OCCO)=C(C=C2)Cl)O[C@@H]([C@H]([C@@H]1O)O)CO

InChI

InChI=1S/C21H25ClO7/c22-16-6-3-13(21-20(27)19(26)18(25)17(11-24)29-21)10-14(16)9-12-1-4-15(5-2-12)28-8-7-23/h1-6,10,17-21,23-27H,7-9,11H2/t17-,18-,19+,20-,21+/m1/s1

IUPAC

(2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-(2-hydroxyethoxy)benzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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