General
Preferred name
CARBENOXOLONE
Synonyms
CARBENOXOLONE DISODIUM ()
P&D ID
PD055316
CAS
5697-56-3
7421-40-1
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION The sodium salt form of Carbenoxolone, which has been found to be an anti-inflammatory glucocorticoid and could inhibit 11β-hydroxysteroid dehydrogenase. (BOC Sciences Bioactive Compounds)
Compound Sets
3
BOC Sciences Bioactive Compounds
carbenoxolone-disodium-cas-7421-40-1-item-97827
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
EOS102391
External IDs
37
Properties
(calculated by RDKit )
Molecular Weight
570.36
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
5
Aromatic Ring Count
0
cLogP
6.83
TPSA
117.97
Fraction CSP3
0.82
Chiral centers
9.0
Largest ring
6.0
QED
0.35
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Solubility
In Vitro:<br/>H2O : 50 mg/mL(81.34 mM
Need ultrasonic)<br/>DMSO : 16.67 mg/mL(27.12 mM
Need ultrasonic)<br/>In Vivo:<br/>1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline<br/>Solubility: 1.67 mg/mL (2.72 mM)
Clear solution
Need ultrasonic<br/>2.Add each solvent one by one:10% DMSO >> 90%corn oil<br/>Solubility: ≥ 1.67 mg/mL (2.72 mM)
Clear solution<br/>3.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline)<br/>Solubility: ≥ 0.93 mg/mL (1.51 mM)
Source data