Analyte Name

Empagliflozin Dimer

Molecular Formula

C46 H52 Cl2 O14

Molecular Weight

899.803

Accurate Mass

898.273

SMILES

OC[C@H]1O[C@](OC[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)c3ccc(Cl)c(Cc4ccc(O[C@@H]5CCOC5)cc4)c3)([C@H](O)[C@@H](O)[C@@H]1O)c6ccc(Cl)c(Cc7ccc(O[C@@H]8CCOC8)cc7)c6

InChI

InChI=1S/C46H52Cl2O14/c47-35-11-5-27(19-28(35)17-25-1-7-31(8-2-25)59-33-13-15-56-22-33)44-42(53)41(52)40(51)38(61-44)24-58-46(45(55)43(54)39(50)37(21-49)62-46)30-6-12-36(48)29(20-30)18-26-3-9-32(10-4-26)60-34-14-16-57-23-34/h1-12,19-20,33-34,37-45,49-55H,13-18,21-24H2/t33-,34-,37-,38-,39-,40-,41+,42-,43+,44+,45-,46+/m1/s1

IUPAC

(2S,3R,4S,5S,6R)-2-[4-chloro-3-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2-[[(2R,3S,4R,5R,6S)-6-[4-chloro-3-[[4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat