Nicardipine HydrochlorideProduct ingredient for Nicardipine

Name
Nicardipine Hydrochloride
Drug Entry
Nicardipine

A potent calcium channel blockader with marked vasodilator action. It has antihypertensive properties and is effective in the treatment of angina and coronary spasms without showing cardiodepressant effects. It has also been used in the treatment of asthma and enhances the action of specific antineoplastic agents. [PubChem]

Accession Number
DBSALT000499
Structure
Thumb
Synonyms
Nicardipine HCl
UNII
K5BC5011K3
CAS Number
54527-84-3
Weight
Average: 515.986
Monoisotopic: 515.182313414
Chemical Formula
C26H30ClN3O6
InChI Key
AIKVCUNQWYTVTO-UHFFFAOYSA-N
InChI
InChI=1S/C26H29N3O6.ClH/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19;/h5-12,15,24,27H,13-14,16H2,1-4H3;1H
IUPAC Name
3-{2-[benzyl(methyl)amino]ethyl} 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)OCCN(C)CC1=CC=CC=C1
External Links
PubChem Compound
41114
ChemSpider
37526
ChEBI
7551
ChEMBL
CHEMBL1200326
Predicted Properties
PropertyValueSource
Water Solubility0.00247 mg/mLALOGPS
logP4.34ALOGPS
logP3.56ChemAxon
logS-5.3ALOGPS
pKa (Strongest Basic)8.18ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area113.69 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity134.8 m3·mol-1ChemAxon
Polarizability50.5 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon