Analyte Name

Ertugliflozin Pidolate

CAS Number

1210344-83-4

Molecular Formula

C22 H25 Cl O7 . C5 H7 N O3

Molecular Weight

565.997

Accurate Mass

565.171

SMILES

CCOc1ccc(Cc2cc(ccc2Cl)[C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)cc1.OC(=O)[C@@H]5CCC(=O)N5

InChI

InChI=1S/C22H25ClO7.C5H7NO3/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;7-4-2-1-3(6-4)5(8)9/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)/t18-,19-,20+,21-,22-;3-/m00/s1

IUPAC

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

Country of Origin

CANADA

Product Format

Neat