Digoxin

Details

Name
Digoxin
Structure
Formula
C41H64O14
Average Molecular Weight
780.949 g/mol
Monoisotopic Weight
780.429606741 g/mol
IUPAC Traditional name
ethane
IUPAC name
4-[(1S,3aR,3bS,5aS,7R,9aR,9bR,11S,11aR)-7-{[(2S,4R,5R,6S)-5-{[(2R,4R,5R,6S)-5-{[(2R,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-3a,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
InChI Key
LTMHDMANZUZIPE-AERTWWJXSA-N
InChI
InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m0/s1
SMILES
[H][C@]1(CC[C@@]2(O)[C@@]3([H])CC[C@@]4([H])C[C@@]([H])(CC[C@@]4(C)[C@]3([H])C[C@]([H])(O)[C@@]12C)O[C@]1([H])C[C@@]([H])(O)[C@@]([H])(O[C@]2([H])C[C@@]([H])(O)[C@@]([H])(O[C@]3([H])C[C@@]([H])(O)[C@@]([H])(O)[C@]([H])(C)O3)[C@]([H])(C)O2)[C@]([H])(C)O1)C1=CC(=O)OC1

Drug Relations

Drug Relations
DrugBank IDNameDrug groupPharmacological action?ActionsDetails
DB00076Digoxin Immune Fab (Ovine)approvedyesother/unknownDetails