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

• ChemBase编号: 122737
• 分子式: C36H42ClN3O6
• 平均质量: 648.18818
• 单一同位素质量: 647.27621376
• 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
• Canonical 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
• 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

名称和登记号

名称

• 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
• 别名: 盐酸乐卡地平; 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 2-[(3,3-Diphenylpropyl)methylamino]-1,1-dimethylethyl Methyl Ester Hydrochloride; Cardiovasc; Carmen; Corifeo; Lercadip; Lercan; Lercapin; Lercaton; Lerkamen; Lerzam; R 75; Rec 15/2375; Renovia; Vasodip; Zandip; Zanicor; Lercanidipine Hydrochloride; Lercanidipine HCl; 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; Masnidipine; Zanidip; Lercanidipine Hydrochloride

登记号

• CAS号: 100427-27-8; 132866-11-6
• PubChem SID: 162217090
• PubChem CID: 157917

理论计算性质

• Acid pKa: 19.46478
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 3.0651655
• LogD (pH = 7.4): 4.4544396
• Log P: 6.4098167
• 摩尔折射率: 176.8488 cm^3
• 极化性: 67.42021 Å^3
• 极化表面积: 111.01 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Methanol
• 外观: Pale-Yellow Powder
• 熔点: 175-177°C

安全信息

• 保存条件: -20°C Freezer

药理学性质

• 生物活性机理: Calcium antagonist

产品相关信息

• 成盐信息: HCl
• 应用领域: Antihypertensive agent

详细说明

Toronto Research Chemicals - L179000

A dihydropyridine calcium channel blocker. Antihypertensive.

参考文献

• Bianchi, G., et al.: Pharmacol. Res., 21, 193 (1989)
• Rimoldi, E., et al.: Acta Therap., 200, 23 (1989)
• Argekar, A., et al.: J. Pharm. Biomed. Anal., 21, 1137 (1989)
• Eur. Pat., 1985, Recordati, 153 016; CA, 104, 88442v, (synth, pharmacol)
• Bianchi, G. et al., IRCS Med. Sci. : Libr. Compend., 1986, 14, 817, (pharmacol)
• Bianchi, G. et al., Pharmacol. Res., 1989, 21, 193, (pharmacol)
• Meredith, P.A. et al., Expert Opin. Invest. Drugs, 1999, 8, 1043-1062
• McClellan, K.J. et al., Drugs, 2000, 60, 1123-1140, (rev)