Naronapride dihydrochlorideProduct ingredient for Naronapride

Name
Naronapride dihydrochloride
Drug Entry
Naronapride
Accession Number
DBSALT002600
Structure
Thumb
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
PropertyValueSource
Water Solubility0.0658 mg/mLALOGPS
logP3.02ALOGPS
logP2.06ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)14.58ChemAxon
pKa (Strongest Basic)9.26ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area106.36 Å2ChemAxon
Rotatable Bond Count12ChemAxon
Refractivity144.78 m3·mol-1ChemAxon
Polarizability59.37 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon