dapagliflozin

CAS: 461432-26-8

Formula: C21H25ClO6

SMILES: CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1

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

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

Composition: C (61.69%), H (6.16%), Cl (8.67%), O (23.48%)

Molar Mass: 408.88

Atom Count: 53

Heavy Atom Count: 28