Wednesday, August 22, 2007

Dapagliflozin: the molecular structure

An anonymous reader reported that the American Medical Association published the structure of dapagliflozin. Here are the details.

The full name is (2S,3R,4R,5S,6R)-2- [4-chloro-3-(4-ethoxybenzyl)phenyl]-6- (hydroxymethyl)tetrahydro-2H- pyran-3,4,5-triol and the PDF report the CAS number 461432-26-8, and InChI=1/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-/m0/s1.

I have added this information to Wikipedia, see the Dapagliflozin entry.