CAS 132866-11-6|CAS 100427-27-8|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|3-{1-[(3,3-d...

General Information

Structure

Molecular Formula

C₃₆H₄₂ClN₃O₆

Molecular Mass

648.18818

Exact Mass

647.27621376

Charge

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

InChIKey

WMFYOYKPJLRMJI-UHFFFAOYSA-N

Canonic Smiles

COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)OC(CN(CCC(c1ccccc1)c1ccccc1)C)(C)C)C.Cl

Isomeric Smiles

C1(=C(NC(=C(C1c1cc([N+](=O)[O-])ccc1)C(=O)OC)C)C)C(=O)OC(CN(CCC(c1ccccc1)c1ccccc1)C)(C)C.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.0651655

LogD (pH = 7.4)

4.4544396

Log P

6.4098167

Molar Refractivity

176.8488

Polarizability

67.42021

Polar Surface Area

111.01

Rotatable Bonds

Lipinski's Rule of Five

false

Acid pKa

19.46478

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

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 hydrochlorideCorifeoRec 15/2375LerkamenR 75ZandipMasnidipineLercadip盐酸乐卡地平Lercanidipine HydrochlorideZanicorLercatonZanidipLercanidipine HydrochlorideCarmenLerzamLercan1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 2-[(3,3-Diphenylpropyl)methylamino]-1,1-dimethylethyl Methyl Ester HydrochlorideRenoviaCardiovascLercapinVasodipLercanidipine HCl

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

IUPAC Traditional name

lercanidipine hydrochloride 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

Names and Identifiers

Registration numbers

CAS Number

132866-11-6100427-27-8

PubChem SID

162217090

PubChem CID

157917

Registration numbers

Properties

Product Information

Salt Data