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...

基本信息

化学结构

分子式

C₃₆H₄₂ClN₃O₆

分子量

648.18818

精确质量

647.27621376

电荷

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

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

3.0651655

LogD (pH = 7.4)

4.4544396

Log P

6.4098167

摩尔折射率

176.8488

极化性

67.42021

极化表面积

111.01

可自由旋转的化学键

里宾斯基五规则

false

Acid pKa

19.46478

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

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 hydrochlorideRec 15/2375CorifeoR 75LerkamenZandipLercadip盐酸乐卡地平MasnidipineLercanidipine HydrochlorideLercatonLercanidipine HydrochlorideCarmenZanicorLercanLerzamZanidipCardiovascVasodip1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 2-[(3,3-Diphenylpropyl)methylamino]-1,1-dimethylethyl Methyl Ester HydrochlorideLercapinRenoviaLercanidipine HCl

IUPAC标准名

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传统名

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

名称和标识

数据登录号

CAS号

132866-11-6100427-27-8

PubChem CID

157917

PubChem SID

162217090

数据登录号

化合物性质

产品相关信息

成盐信息