Tiapride hydrochlorideProduct ingredient for Tiapride

Name
Tiapride hydrochloride
Drug Entry
Tiapride

Tiapride is a selective D2 and D3 dopamine receptor blocker in the brain.

Accession Number
DBSALT002373
Structure
Synonyms
Tiapride HCl
UNII
25N106WEDO
CAS Number
51012-33-0
Weight
Average: 364.89
Monoisotopic: 364.1223562
Chemical Formula
C15H25ClN2O4S
InChI Key
OTFDPNXIVHBTKW-UHFFFAOYSA-N
InChI
InChI=1S/C15H24N2O4S.ClH/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3;/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18);1H
IUPAC Name
N-[2-(diethylamino)ethyl]-5-methanesulfonyl-2-methoxybenzamide hydrochloride
SMILES
Cl.CCN(CC)CCNC(=O)C1=CC(=CC=C1OC)S(C)(=O)=O
ChemSpider
36445
ChEBI
32220
ChEMBL
CHEMBL1256772
Predicted Properties
PropertyValueSource
Water Solubility0.252 mg/mLALOGPS
logP1.14ALOGPS
logP0.46Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)13.23Chemaxon
pKa (Strongest Basic)8.87Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area75.71 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity88.02 m3·mol-1Chemaxon
Polarizability35.58 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon