Analyte Name

Dapagliflozin 2-O-beta-D-Glucuronide

Molecular Formula

C27 H33 Cl O12

Molecular Weight

584.997

Accurate Mass

584.166

SMILES

CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]4O[C@H]([C@H](O)[C@@H](O)[C@@H]4O)C(=O)O)cc1

InChI

InChI=1S/C27H33ClO12/c1-2-37-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)28)23-24(20(32)18(30)17(11-29)38-23)39-27-22(34)19(31)21(33)25(40-27)26(35)36/h3-8,10,17-25,27,29-34H,2,9,11H2,1H3,(H,35,36)/t17-,18-,19-,20+,21-,22+,23+,24-,25-,27+/m1/s1

IUPAC

(2R,3R,4R,5S,6S)-6-[(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat