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
- External Links
- ChemSpider
- 114897
- ChEMBL
- CHEMBL2139257
- Predicted Properties
Property Value Source Water Solubility 0.0261 mg/mL ALOGPS logP 2.41 ALOGPS logP 2.32 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 14.71 Chemaxon pKa (Strongest Basic) 8.77 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 60.03 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 102.05 m3·mol-1 Chemaxon Polarizability 40.58 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon