100427-27-8 (盐酸乐卡地平,3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,3-[2-[(3,3-diphenylpropyl)methylamino]-1,1-dimethylethyl] 5-methyl ester,hydrochloride (1:?))

CAS号:
100427-27-8
中文名称:
盐酸乐卡地平
英文名称:
3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,3-[2-[(3,3-diphenylpropyl)methylamino]-1,1-dimethylethyl] 5-methyl ester,hydrochloride (1:?)
分子式:
C36H42ClN3O6
分子量:
648.188189029694

盐酸乐卡地平(100427-27-8)名称与标识符

名称

中文别名:
盐酸乐卡地平;乐卡地平;乐卡地平盐酸盐;
英文别名:
3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,3-[2-[(3,3-diphenylpropyl)methylamino]-1,1-dimethylethyl] 5-methyl ester,hydrochloride (1:?);LERCANIDIPINE HCL;Rec-15/2375;Lercaton;AS-13358;Lercapin;2-[(3,3-Diphenylpropyl)methylamino]-1,1-dimethylethyl methyl (4RS)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate monohydrochloride;AC-1420;LERCANIDIPINE HYDROCHLORIDE [WHO-DD];NCGC00260829-01;DTXSID3046665;Lercanidipine (hydrochloride);J-521641;Lercanidipine hydrochloride (JAN/USAN);NCGC00167492-01;Lerzam;FT-0670749;TJN-324;OA8TFX68PE;SCHEMBL217099;1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 2-[(3,3-diphenylpropyl);LERCANIDIPINE HYDROCHLORIDE [MART.];NCGC00167492-03;Masnidipine hydrochloride;5-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride;HY-B0612A;Zanicor;CHEMBL2106419;Corifeo;L0282;Cardiovasc (TN);Vasodip;Lercanidipine hydrochloride- Bio-X;Zandip;Lercan;132866-11-6;Tox21_112493_1;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;3,5-Pyridinedicarboxylic acid, 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(3,3-diphenylpropyl)methylamino)-1,1-dimethylethyl methyl ester, monohydrochloride;Renovia;Zanidip hydrochloride;FT-0627794;Q27285537;BCP11375;LCP-Lerc;UNII-OA8TFX68PE;R 75;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-[2-[(3,3-diphenylpropyl)methylamino]-1,1-dimethylethyl] 5-methyl ester, hydrochloride (1:1);AKOS015846519;LERCANIDIPINEHCL;3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-((3,3-diphenylpropyl)methylamino)-1,1-dimethylethyl methyl ester, monohydrochloride;MFCD07773089;Lerdip;Lercanidipine hydrochloride [USAN];LERCANIDIPINE HYDROCHLORIDE [MI];CHEBI:31771;s4597;1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 2-[(3,3-diphenylpropyl)methylamino]-1,1-dimethylethyl methyl ester hydrochloride;Lercadip;Tox21_112493;CCG-270327;3,3-diphenylpropyl-[2-[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxy-2-methylpropyl]-methylazanium;chloride;2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] ester O3-methyl ester hydrochloride;J-006235;LP00144;WMFYOYKPJLRMJI-UHFFFAOYSA-N;Lercanidipine hydrochloride, >=98% (HPLC);2-((3,3-diphenylpropyl)methylamino)-1,1-dimethylethyl methyl (4RS)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate monohydrochloride;A806509;Lercanidipine hydrochloride hemihydrate;Cardiovasc;BL164618;Zanidip (hydrochloride);Masnidipine (hydrochloride);Zanidip;Carmen;CCG-221448;Tox21_500144;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(1:x);FT-0631144;LERCANIDIPINE HYDROCHLORIDE [JAN];CAS-132866-11-6;Lerkamen;O5-[1-[3,3-diphenylpropyl(methyl)amino]-2-methyl-propan-2-yl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride;100427-27-8;FT-0670750;Lercanidipine hydrochloride;DTXCID1026665;D01849;J-006236;Zanedip;

标识符

InChIKey:
WMFYOYKPJLRMJI-UHFFFAOYSA-N
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
SMILES:
Cl.O(C(C1=C(C)NC(C)=C(C(=O)OC)C1C1C=CC=C(C=1)[N+](=O)[O-])=O)C(C)(C)CN(C)CCC(C1C=CC=CC=1)C1C=CC=CC=1

盐酸乐卡地平(100427-27-8)物化性质

实验特性

  • LogP : 8.13240
  • PSA : 113.69000
  • 沸点 : 712.5°Cat760mmHg
  • 熔点 : 175-177 °C
  • 闪点 : 384.7°C
  • 密度 : g/cm3

计算特性

  • 精确分子量 : 647.27600
  • 氢键供体数量 : 2
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 13
  • 同位素质量 : 647.276
  • 重原子数量 : 46
  • 复杂度 : 1090
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 2
  • 拓扑分子极性表面积 : 114A^2

盐酸乐卡地平(100427-27-8)相关文献