Domperidone maleateProduct ingredient for Domperidone
- Name
- Domperidone maleate
- Drug Entry
- Domperidone
A specific blocker of dopamine receptors. It speeds gastrointestinal peristalsis, causes prolactin release, and is used as antiemetic and tool in the study of dopaminergic mechanisms.
- Accession Number
- DBSALT002902
- Structure
Structure for Domperidone maleate (DBSALT002902)
- Synonyms
- Not Available
- UNII
- 899U5WF46A
- CAS Number
- 83898-65-1
- Weight
- Average: 541.99
Monoisotopic: 541.1728113 - Chemical Formula
- C26H28ClN5O6
- InChI Key
- OAUUYDZHCOULIO-BTJKTKAUSA-N
- InChI
- InChI=1S/C22H24ClN5O2.C4H4O4/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29;5-3(6)1-2-4(7)8/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30);1-2H,(H,5,6)(H,7,8)/b;2-1-
- IUPAC Name
- (2Z)-but-2-enedioic acid; 5-chloro-1-{1-[3-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)propyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
- SMILES
- OC(=O)\C=C/C(O)=O.ClC1=CC=C2N(C3CCN(CCCN4C(=O)NC5=CC=CC=C45)CC3)C(=O)NC2=C1
- External Links
- KEGG Drug
- D07868
- ChemSpider
- 5036865
- ChEBI
- 59812
- ChEMBL
- CHEMBL3436365
- Predicted Properties
Property Value Source Water Solubility 0.0925 mg/mL ALOGPS logP 3.7 ALOGPS logP 2.9 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 12.52 Chemaxon pKa (Strongest Basic) 7.03 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 67.92 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 119.37 m3·mol-1 Chemaxon Polarizability 45.64 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon