dapagliflozin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 347
Total Number of Articles : 727
PubChem 9887712
Molecular Formula

C21H25ClO6

SMILES

CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl

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

synonyms
  • Dapagliflozin
  • 461432-26-8
  • BMS-512148
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Properties
Property Value
MW 408.9 g/mol
HBD 4
HBA 6
Rotatable Bond Count 6
Exact Mass 408.1339662 g/mol
Monoisotopic Mass 408.1339662 g/mol
Heavy Atom Count 28
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 472
xlogp 2.3
Topological Polar Surface Area 99.4