Manidipine dihydrochlorideProduct ingredient for Manidipine

Name
Manidipine dihydrochloride
Drug Entry
Manidipine

Manidipine (INN) is a calcium channel blocker (dihydropyridine type) that is used clinically as an antihypertensive. It is selective for vasculature and does not produce effects on the heart at clinically relevant dosages.

Accession Number
DBSALT002895
Structure
Synonyms
Manidipine dihydrochloride / Manidipine HCl
External IDs
CV 4093 / CV-4093 / CV4093
UNII
ZL507UZ6QL
CAS Number
89226-75-5
Weight
Average: 683.63
Monoisotopic: 682.2324904
Chemical Formula
C35H40Cl2N4O6
InChI Key
JINNGBXKBDUGQT-UHFFFAOYSA-N
InChI
InChI=1S/C35H38N4O6.2ClH/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27;;/h4-16,23,32-33,36H,17-22H2,1-3H3;2*1H
IUPAC Name
3-{2-[4-(diphenylmethyl)piperazin-1-yl]ethyl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate dihydrochloride
SMILES
Cl.Cl.COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)N(=O)=O)C(=O)OCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1
ChemSpider
132878
ChEBI
31800
ChEMBL
CHEMBL2362693
Predicted Properties
PropertyValueSource
Water Solubility0.000995 mg/mLALOGPS
logP5.11ALOGPS
logP5.19Chemaxon
logS-5.8ALOGPS
pKa (Strongest Acidic)16.97Chemaxon
pKa (Strongest Basic)7.89Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area116.93 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity175.13 m3·mol-1Chemaxon
Polarizability65.72 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon