Prothipendyl hydrochlorideProduct ingredient for Prothipendyl

Name
Prothipendyl hydrochloride
Drug Entry
Prothipendyl

Prothipendyl has been used in trials studying the treatment of Dementia, Depression, Schizophrenia, Anxiety Disorders, and Psychosomatic Disorders.

Accession Number
DBSALT002975
Structure
Synonyms
Prothipendyl HCl
UNII
7610629RVH
CAS Number
1225-65-6
Weight
Average: 321.87
Monoisotopic: 321.1066465
Chemical Formula
C16H20ClN3S
InChI Key
CQJSAKJMCVSEGU-UHFFFAOYSA-N
InChI
InChI=1S/C16H19N3S.ClH/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19;/h3-5,7-10H,6,11-12H2,1-2H3;1H
IUPAC Name
dimethyl(3-{9-thia-2,4-diazatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),3,5,7,11,13-hexaen-2-yl}propyl)amine hydrochloride
SMILES
Cl.CN(C)CCCN1C2=C(SC3=CC=CN=C13)C=CC=C2
ChemSpider
14001
ChEMBL
CHEMBL2107124
Predicted Properties
PropertyValueSource
Water Solubility0.128 mg/mLALOGPS
logP3.53ALOGPS
logP3.31Chemaxon
logS-3.4ALOGPS
pKa (Strongest Basic)9.2Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area19.37 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity87.11 m3·mol-1Chemaxon
Polarizability32.2 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon