4-(3-Tetrahydrofuranyl-oxy)phenylmethoxy-2-methoxy Empagliflozin

Analyte Name

4-(3-Tetrahydrofuranyl-oxy)phenylmethoxy-2-methoxy Empagliflozin

CAS Number

1800196-50-2

Molecular Formula

C25H31ClO9

Molecular Weight

510.96

Accurate Mass

510.17

SMILES

CO[C@@]1(C2=CC(C(C3=CC=C(C=C3)O[C@H]4CCOC4)OC)=C(C=C2)Cl)O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO

InChI

InChI=1S/C25H31ClO9/c1-31-23(14-3-6-16(7-4-14)34-17-9-10-33-13-17)18-11-15(5-8-19(18)26)25(32-2)24(30)22(29)21(28)20(12-27)35-25/h3-8,11,17,20-24,27-30H,9-10,12-13H2,1-2H3/t17-,20+,21+,22-,23?,24+,25-/m0/s1

IUPAC

(2S,3R,4S,5S,6R)-2-(4-chloro-3-(methoxy(4-(((S)-tetrahydrofuran-3-yl)oxy)phenyl)methyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol

Country of Origin

CANADA

Product Format

Neat