Dexetimide hydrochlorideProduct ingredient for Dexetimide

Name
Dexetimide hydrochloride
Drug Entry
Dexetimide

A muscarinic antagonist that has been used to treat neuroleptic-induced parkinsonism. Benzetimide is the (-)-enantimorph of dexetimide.

Accession Number
DBSALT002920
Structure
Thumb
Synonyms
Dexetimide HCl / Dextrobenzetimide hydrochloride
External IDs
R 16470
UNII
B987A3XX7D
CAS Number
21888-96-0
Weight
Average: 398.93
Monoisotopic: 398.1761058
Chemical Formula
C23H27ClN2O2
InChI Key
XSOOSXRNMDUWEM-GNAFDRTKSA-N
InChI
InChI=1S/C23H26N2O2.ClH/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18;/h1-10,20H,11-17H2,(H,24,26,27);1H/t23-;/m1./s1
IUPAC Name
(3S)-1'-benzyl-2,6-dioxo-3-phenyl-[3,4'-bipiperidin]-1'-ium chloride
SMILES
[Cl-].O=C1CC[C@@](C2CC[NH+](CC3=CC=CC=C3)CC2)(C(=O)N1)C1=CC=CC=C1
ChemSpider
28614
Predicted Properties
PropertyValueSource
Water Solubility6.09e-05 mg/mLALOGPS
logP0.73ALOGPS
logP3.38ChemAxon
logS-6.8ALOGPS
pKa (Strongest Acidic)11.69ChemAxon
pKa (Strongest Basic)8.66ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area50.61 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity117.36 m3·mol-1ChemAxon
Polarizability40.66 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon