乐卡地平 | 100427-26-7
中文名称:
乐卡地平
英文名称:
Lercanidipine
CAS No.:
100427-26-7
分子式:
C3 6 H4 1 N3 O6
分子量:
611.72724
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击: 乐卡地平结构式
快速询单
简介
Lercanidipine 是一种亲脂性和具有口服活性的第三代二氢吡啶-钙通道阻滞剂 (DHP-CCB)。Lercanidipine 具有持久的降压作用和对肾脏的保护作用。
名称和标识符
MDL
MFCD00867978
InChIKey
ZDXUKAKRHYTAKV-UHFFFAOYSA-N
Inchi
1S/C36H41N3O6/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
SMILES
O=C(C1=C(C)NC(C)=C(C(OC)=O)C1C2=CC=CC([N+]([O-])=O)=C2)OC(C)(C)CN(CCC(C3=CC=CC=C3)C4=CC=CC=C4)C
别名信息
- 中文别名 -
乐卡地平
1,4-双氢-2,6-二甲基-4-(3-硝基苯基)-3,5-吡啶二羧酸 2-[(3,3-二苯丙基)甲氨基]-1,1-二甲基乙基甲酯
2-碘苯磺酸二水合物
- 英文别名 -
Lercanidipine
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
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 2-[(3,3-diphenylpropyl)methylamino]-1,1-dimethylethyl methyl ester
3-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 5-O-methyl 2,6-dimet
Lercanidipine [INN]
Lercanil (TN)
lercarnidipine
masnidipine
methyl 1,1,N-trimethyl-N-(3,3-diphenylpropyl)-2-aminoethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate
REC 15-2375
UNII-V7XTJ4R0BH
Methyl [2-(3,3-diphenylpropyl-methyl-amino)-1,1-dimethyl-ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
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
CHEMBL250270
SR-01000884000
2-((3,3-DIPHENYLPROPYL)METHYLAMINO)-1,1-DIMETHYLETHYL METHYL (4RS)-2,6-DIMETHYL-4-(3-NITROPHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE
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
D08111
Q410492
3,5-PYRIDINEDICARBOXYLIC ACID, 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-, 2-((3,3-DIPHENYLPROPYL)METHYLAMINO)-1,1-DIMETHYLETHYL METHYL ESTER
(+-)-2-((3,3-Diphenylpropyl)methylamino)-1,1-dimethylethyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate
A800200
SCHEMBL25268
LERCANIDIPINE [MI]
s5861
3,5-Pyridinedicarboxylic acid, 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(3,3-diphenylpropyl)methylamino)-1,1-dimethylethyl methyl ester
NCGC00167492-01
100427-26-7
AC-15409
EN300-19767833
BCP21318
AKOS005571238
Lercanil
DTXSID2048327
Lercanidipine (INN)
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
SCHEMBL6846222
NCGC00167492-02
A929939
NCGC00167492-11
NS00002039
AS-75252
SR-01000884000-1
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
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
Lercanidipine [INN:BAN]
V7XTJ4R0BH
HMS3604G05
C13971
CHEBI:135930
LERCANIDIPINE [WHO-DD]
[2-oxo-3-(3-trifluoromethyl-phenoxy)-propyl]-phosphonic
ZDXUKAKRHYTAKV-UHFFFAOYSA-N
DB00528
SDCCGSBI-0633690.P001
HY-B0612
FT-0631006
Lercanidipine?
物化性质
实验特性
LogP
7.33040
PSA
113.69000
折射率
1.579
沸点
712.5 °C at 760 mmHg
熔点
118-120 ºC
闪点
384.7 °C
颜色与性状
白色至淡 黄色固体
密度
1.177
计算特性
精确分子量
611.30000
氢键供体数量
1
氢键受体数量
6
可旋转化学键数量
14
同位素质量
611.3
重原子数量
45
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
1
疏水参数计算参考值(XlogP)
6.9
拓扑分子极性表面积
114A^2
安全信息
安全说明
H303吞入可能有害+H313皮肤接触可能有害+H333吸入可能对身体有害
风险术语
T
危害声明
H303吞入可能有害+H313皮肤接触可能有害+H333吸入可能对身体有害
警示性声明
P264处理后彻底清洗+P280戴防护手套/穿防护服/戴防护眼罩/戴防护面具+P305如果进入眼睛+P351用水小心冲洗几分钟+P338取出隐形眼镜(如果有)并且易于操作,继续冲洗+P337如果眼睛刺激持续+P313获得医疗建议/护理
储存条件
Please store the product under the recommended conditions in the Certificate of Analysis.
信号词
warning
海关数据
海关编码
2942000000
海关数据
中国海关编码:
2942000000
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化合物详情(旧版)
SMILES
CN(CCC(C1=CC=CC=C1)C2=CC=CC=C2)CC(C)(C)OC(=O)C3C(C4=CC([N+](=O)[O-])=CC=C4)C(C(=O)OC)=C(C)NC=3C
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