Naronapride dihydrochlorideProduct ingredient for Naronapride
- Name
- Naronapride dihydrochloride
- Drug Entry
- Naronapride
- Accession Number
- DBSALT002600
- Structure
- Synonyms
- Not Available
- UNII
- 898PE2W8US
- CAS Number
- 860169-57-9
- Weight
- Average: 610.01
Monoisotopic: 608.2299036 - Chemical Formula
- C27H43Cl3N4O5
- InChI Key
- ZKVOMYDQQYOJKE-HTKGJVFSSA-N
- InChI
- InChI=1S/C27H41ClN4O5.2ClH/c1-35-23-15-21(29)20(28)14-19(23)27(34)30-22-9-13-31(17-25(22)36-2)10-5-3-4-6-26(33)37-24-16-32-11-7-18(24)8-12-32;;/h14-15,18,22,24-25H,3-13,16-17,29H2,1-2H3,(H,30,34);2*1H/t22-,24+,25+;;/m1../s1
- IUPAC Name
- (3R)-1-azabicyclo[2.2.2]octan-3-yl 6-[(3S,4R)-4-(4-amino-5-chloro-2-methoxybenzamido)-3-methoxypiperidin-1-yl]hexanoate dihydrochloride
- SMILES
- Cl.Cl.CO[C@H]1CN(CCCCCC(=O)O[C@H]2CN3CCC2CC3)CC[C@H]1NC(=O)C1=C(OC)C=C(N)C(Cl)=C1
- External Links
- ChemSpider
- 28527696
- ChEMBL
- CHEMBL2105706
- Predicted Properties
Property Value Source Water Solubility 0.0658 mg/mL ALOGPS logP 3.02 ALOGPS logP 2.06 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 14.58 Chemaxon pKa (Strongest Basic) 9.26 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 106.36 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 144.78 m3·mol-1 Chemaxon Polarizability 59.37 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon