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Product Code

TRC-D965840

CAS Number

1327165-97-8

Product Format

Neat

Molecular Formula

C21H23ClO8

Molecular Weight

438.86

Product Type

Metabolite

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Product Information

Chemical Data

Analyte Name

Descyclopropyl Bexagliflozin Carboxylic Acid

CAS Number

1327165-97-8

Molecular Formula

C21H23ClO8

Molecular Weight

438.86

Accurate Mass

438.1081

SMILES

ClC1=C(C=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1)CC3=CC=C(OCC(O)=O)C=C3

InChI

InChI=1S/C21H23ClO8/c22-15-6-3-12(21-20(28)19(27)18(26)16(9-23)30-21)8-13(15)7-11-1-4-14(5-2-11)29-10-17(24)25/h1-6,8,16,18-21,23,26-28H,7,9-10H2,(H,24,25)/t16-,18-,19+,20-,21+/m1/s1

IUPAC

2-(4-(2-chloro-5-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)benzyl)phenoxy)acetic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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