Catalog Number:
AG008VUH
Chemical Name:
Dapagliflozin-d5
CAS Number:
1204219-80-6
Molecular Formula:
C21H20ClD5O6
Molecular Weight:
413.9034
MDL Number:
MFCD21363576
IUPAC Name:
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-(1,1,2,2,2-pentadeuterioethoxy)phenyl]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/i1D3,2D2
InChI Key:
JVHXJTBJCFBINQ-CAXKFZQOSA-N
SMILES:
OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2ccc(cc2)OC(C([2H])([2H])[2H])([2H])[2H])Cl)[C@@H]([C@H]([C@@H]1O)O)O
