Lercanidipine hydrochlorideProduct ingredient for Lercanidipine

Name
Lercanidipine hydrochloride
Drug Entry
Lercanidipine

Lercanidipine is a calcium channel blocker of the dihydropyridine class. It is sold under various commercial names including Zanidip.

Accession Number
DBSALT002974
Structure
Synonyms
Lercanidipine HCl / Lercanidipine hydrochloride
External IDs
R 75
UNII
OA8TFX68PE
CAS Number
132866-11-6
Weight
Average: 648.2
Monoisotopic: 647.2762138
Chemical Formula
C36H42ClN3O6
InChI Key
WMFYOYKPJLRMJI-UHFFFAOYSA-N
InChI
InChI=1S/C36H41N3O6.ClH/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27;/h7-19,22,30,33,37H,20-21,23H2,1-6H3;1H
IUPAC Name
3-{1-[(3,3-diphenylpropyl)(methyl)amino]-2-methylpropan-2-yl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
SMILES
Cl.COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)(C)CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=C1
ChemSpider
138945
ChEBI
31771
ChEMBL
CHEMBL2106419
Predicted Properties
PropertyValueSource
Water Solubility0.000156 mg/mLALOGPS
logP6.42ALOGPS
logP6.41Chemaxon
logS-6.6ALOGPS
pKa (Strongest Acidic)16.96Chemaxon
pKa (Strongest Basic)9.36Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area111.01 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity176.85 m3·mol-1Chemaxon
Polarizability66.15 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon