Analyte Name

Desglucuronide Dapagliflozin Dimer

Molecular Formula

C36 H39 Cl O7

Molecular Weight

619.144

Accurate Mass

618.238

SMILES

CCOc1ccc(Cc2cc(cc(c2)c3cccc(Cl)c3Cc4cccc(OCC)c4)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc1

InChI

InChI=1S/C36H39ClO7/c1-3-42-27-13-11-22(12-14-27)15-24-16-25(20-26(17-24)36-35(41)34(40)33(39)32(21-38)44-36)29-9-6-10-31(37)30(29)19-23-7-5-8-28(18-23)43-4-2/h5-14,16-18,20,32-36,38-41H,3-4,15,19,21H2,1-2H3/t32-,33-,34+,35-,36+/m1/s1

IUPAC

(2S,3R,4R,5S,6R)-2-[3-[3-chloro-2-[(3-ethoxyphenyl)methyl]phenyl]-5-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat