Ligand id: 4151

Name: carbenoxolone

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 117.97
Molecular weight 570.36
XLogP 6.86
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Compound class Synthetic organic
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(4-hydroxy-4-oxobutanoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
International Nonproprietary Names
INN number INN
1789 carbenoxolone
Database Links
CAS Registry No. 5697-56-3 (source: Scifinder)
ChEMBL Ligand CHEMBL499915
PubChem CID 636403
Search Google for chemical match using the InChIKey OBZHEBDUNPOCJG-WBXJDKIVSA-N
Search Google for chemicals with the same backbone OBZHEBDUNPOCJG
Search PubMed clinical trials carbenoxolone
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Wikipedia Carbenoxolone
Formulations used clinically typically contain carbenoxolone sodium.