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Chemical structure of Digoxin

GC13108

Digoxin

Also known as 3-[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Digoxin is a potent Na+/K+-ATPase inhibitor clinically used to treat arrhythmias and heart failure

ChemicalCAS20830-75-5MW780.94FormulaC41H64O14
CAS number
20830-75-5
Molecular weight
780.94
Formula
C41H64O14
Solubility
≥ 33·25mg/mL in DMSO
InChIKey
LTMHDMANZUZIPE-UHFFFAOYSA-N
Catalogue number
GC13108
Brand
GLPBIO
Computed properties PubChem CID 3062 · XLogP 1.3 · TPSA 203 Ų · H-bond donors 6
XLogP
1.3
TPSA
203 Ų
H-bond donors
6
H-bond acceptors
14
Rotatable bonds
7
Heavy atoms
55

SMILES CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O

Computed descriptors from PubChem (CID 3062), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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