Product Code

TRC-E568030

CAS Number

1210344-58-3

Product Format

Neat

Molecular Formula

C22 H25 Cl O7

Molecular Weight

436.883

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

API

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Ertugliflozin Tetraol

CAS Number

1210344-58-3

Molecular Formula

C22 H25 Cl O7

Molecular Weight

436.883

Accurate Mass

436.129

SMILES

CCOc1ccc(Cc2cc(ccc2Cl)[C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@@H]4O)cc1

InChI

InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20-,21-,22-/m0/s1

IUPAC

(1S,2S,3S,4S,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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