Analyte Name

Dapagliflozin-6-13C

Molecular Formula

13C6 C15 H25 Cl O6

Molecular Weight

414.829

Accurate Mass

414.154

SMILES

CCO[13c]1[13cH][13cH][13c](Cc2cc(ccc2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[13cH][13cH]1

InChI

InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1/i3+1,4+1,6+1,7+1,12+1,15+1

IUPAC

(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat