Clorgiline hydrochlorideProduct ingredient for Clorgiline

Name
Clorgiline hydrochloride
Drug Entry
Clorgiline

An antidepressive agent and monoamine oxidase inhibitor related to PARGYLINE.

Accession Number
DBSALT002700
Structure
Synonyms
Clorgiline HCl / Clorgyline HCl / Clorgyline hydrochloride
UNII
H38V165133
CAS Number
17780-75-5
Weight
Average: 308.63
Monoisotopic: 307.0297472
Chemical Formula
C13H16Cl3NO
InChI Key
BBAZDLONIUABKI-UHFFFAOYSA-N
InChI
InChI=1S/C13H15Cl2NO.ClH/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15;/h1,5-6,10H,4,7-9H2,2H3;1H
IUPAC Name
[3-(2,4-dichlorophenoxy)propyl](methyl)(prop-2-yn-1-yl)amine hydrochloride
SMILES
Cl.CN(CCCOC1=C(Cl)C=C(Cl)C=C1)CC#C
ChemSpider
26759
ChEMBL
CHEMBL539507
Predicted Properties
PropertyValueSource
Water Solubility0.014 mg/mLALOGPS
logP3.71ALOGPS
logP3.33Chemaxon
logS-4.3ALOGPS
pKa (Strongest Basic)8.4Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area12.47 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity72.6 m3·mol-1Chemaxon
Polarizability28.35 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon