acetyldigitoxin

Ligand id: 6794

Name: acetyldigitoxin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 188.9
Molecular weight 806.45
XLogP 3.73
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (2009))
IUPAC Name
[(2R,3R,4S,6S)-3-hydroxy-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-4-yl] acetate
International Nonproprietary Names
INN number INN
792 acetyldigitoxin
Synonyms
acetyldiginatin | Acylanid® | alpha-acetyldigitoxin
Database Links
CAS Registry No. 25395-32-8
ChEBI CHEBI:53773
ChEMBL Ligand CHEMBL1200634
DrugBank Ligand DB00511
PubChem CID 5284512
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Wikipedia Acetyldigitoxin
Comments
Sodium/potassium-transporting ATPase inhibitor (pan)