alphaxalone

Ligand id: 5461

Name: alphaxalone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 54.37
Molecular weight 332.24
XLogP 3.6
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
International Nonproprietary Names
INN number INN
3218 alfaxalone
Synonyms
5α-alphaxalone | alfadione | alfaxalone | GR 2/234
Database Links
CAS Registry No. 23930-19-0
ChEMBL Ligand CHEMBL190279
GtoPdb PubChem SID 178102111
PubChem CID 104845
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Wikipedia Alfaxalone