Cinitapride tartrateProduct ingredient for Cinitapride
- Name
- Cinitapride tartrate
- Drug Entry
- Cinitapride
Cinitapride is a gastroprokinetic agent and antiulcer benzamide with agonist activity at 5-HT1 and 5-HT4 receptors and antagonist activity at 5-HT2 receptors. It is marketed in Spain and Mexico.
- Accession Number
- DBSALT002860
- Structure
Structure for Cinitapride tartrate (DBSALT002860)
- Synonyms
- Not Available
- External IDs
- LAS-17177
- UNII
- 2Z90GEN540
- CAS Number
- 1207859-16-2
- Weight
- Average: 552.581
Monoisotopic: 552.243143375 - Chemical Formula
- C25H36N4O10
- InChI Key
- HVANMRCHFMTSEG-LREBCSMRSA-N
- InChI
- InChI=1S/C21H30N4O4.C4H6O6/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15;5-1(3(7)8)2(6)4(9)10/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
- IUPAC Name
- (2R,3R)-2,3-dihydroxybutanedioic acid; 4-amino-N-{1-[(cyclohex-3-en-1-yl)methyl]piperidin-4-yl}-2-ethoxy-5-nitrobenzamide
- SMILES
- O[C@H]([C@@H](O)C(O)=O)C(O)=O.CCOC1=CC(N)=C(C=C1C(=O)NC1CCN(CC2CCC=CC2)CC1)[N+]([O-])=O
- External Links
- ChemSpider
- 5293065
- Predicted Properties
Property Value Source Water Solubility 0.0141 mg/mL ALOGPS logP 3.7 ALOGPS logP 2.79 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 13.62 Chemaxon pKa (Strongest Basic) 9.74 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 110.73 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 114.58 m3·mol-1 Chemaxon Polarizability 44.02 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon