Analyte Name

Dapagliflozin Dimer

CAS Number

2452300-79-5

Molecular Formula

C42 H48 Cl2 O12

Molecular Weight

815.729

Accurate Mass

814.252

SMILES

CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]3O[C@@H](CO[C@]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c5ccc(Cl)c(Cc6ccc(OCC)cc6)c5)[C@@H](O)[C@H](O)[C@H]3O)cc1

InChI

InChI=1S/C42H48Cl2O12/c1-3-52-29-11-5-23(6-12-29)17-26-19-25(9-15-31(26)43)40-38(49)37(48)36(47)34(55-40)22-54-42(41(51)39(50)35(46)33(21-45)56-42)28-10-16-32(44)27(20-28)18-24-7-13-30(14-8-24)53-4-2/h5-16,19-20,33-41,45-51H,3-4,17-18,21-22H2,1-2H3/t33-,34+,35-,36-,37+,38-,39+,40+,41-,42+/m1/s1

IUPAC

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

Impurity

Product Format

Neat