Itopride hydrochlorideProduct ingredient for Itopride

Name
Itopride hydrochloride
Drug Entry
Itopride

Itopride is a dopamine D2 antagonist with acetylcholinesterase inhibitory actions.

Accession Number
DBSALT002665
Structure
Synonyms
Itopride HCl
External IDs
HSR 803
UNII
2H9NV66W0I
CAS Number
122892-31-3
Weight
Average: 394.9
Monoisotopic: 394.1659351
Chemical Formula
C20H27ClN2O4
InChI Key
ZTOUXLLIPWWHSR-UHFFFAOYSA-N
InChI
InChI=1S/C20H26N2O4.ClH/c1-22(2)11-12-26-17-8-5-15(6-9-17)14-21-20(23)16-7-10-18(24-3)19(13-16)25-4;/h5-10,13H,11-12,14H2,1-4H3,(H,21,23);1H
IUPAC Name
N-({4-[2-(dimethylamino)ethoxy]phenyl}methyl)-3,4-dimethoxybenzamide hydrochloride
SMILES
Cl.COC1=CC=C(C=C1OC)C(=O)NCC1=CC=C(OCCN(C)C)C=C1
ChemSpider
114897
ChEMBL
CHEMBL2139257
Predicted Properties
PropertyValueSource
Water Solubility0.0261 mg/mLALOGPS
logP2.41ALOGPS
logP2.32ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)14.71ChemAxon
pKa (Strongest Basic)8.77ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area60.03 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity102.05 m3·mol-1ChemAxon
Polarizability40.58 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon