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72509-76-3 分子结构
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3-ethyl 5-methyl (4S)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

ChemBase编号:168875
分子式:C18H19Cl2NO4
平均质量:384.25376
单一同位素质量:383.06911345
SMILES和InChIs

SMILES:
N1C(=C([C@@H](C(=C1C)C(=O)OCC)c1cccc(c1Cl)Cl)C(=O)OC)C
Canonical SMILES:
CCOC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1Cl)Cl)C(=O)OC)C
InChI:
InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3/t15-/m0/s1
InChIKey:
RZTAMFZIAATZDJ-HNNXBMFYSA-N

引用这个纪录

CBID:168875 http://www.chembase.cn/molecule-168875.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
3-ethyl 5-methyl (4S)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC传统名
3-ethyl 5-methyl (4S)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
别名
(4R)-4-(2,3-Dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic Acid 3-Ethyl 5-Methyl Ester
(+)-Felodipine
(R)-Felodipine
(R)-(+)-Felodipine
Agon
Feloc
Fensel
Hydac
Modip
Plandil
Plendil
Splendil
Felodipine
CAS号
72509-76-3
119945-59-4
PubChem SID
162263007
PubChem CID
941699

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID
PubChem 941699 external link

理论计算性质

理论计算性质

JChem
质子受体 质子供体
LogD (pH = 5.5) 3.1918502  LogD (pH = 7.4) 3.436203 
Log P 3.4404075  摩尔折射率 99.1982 cm3
极化性 37.720104 Å3 极化表面积 64.63 Å2
可自由旋转的化学键 里宾斯基五规则 true 

分子性质

分子性质

安全信息 药理学性质 产品相关信息 生物活性(PubChem)
MSDS下载
下载链接 expand 查看数据来源
生物活性机理
Blocks voltage-dependent calcium currents in vascular smooth muscle and cultured rabbit atrial cells, and blocks potassium-induced contracture of the rat portal vein expand 查看数据来源
By blocking the calcium channels, inhibits the influx of extracellular calcium across the myocardial and vascular smooth muscle cell membranes and expand 查看数据来源
Calcium channel blocker expand 查看数据来源
results in a decrease of peripheral vascular resistance. expand 查看数据来源
Reversibly competes with nitrendipine and other calcium channel blockers for dihydropyridine binding sites expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
应用领域
Antihypertensive agent expand 查看数据来源
Used to treat hypertension, chronic stable angina pectoris, and Prinzmetal's variant angina expand 查看数据来源
Vasodilator expand 查看数据来源

详细说明

详细说明

TRC TRC
Toronto Research Chemicals -  F232365 external link
A dihydropyridine calcium channel blocker. Enantiomer R of Felodipine.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
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专利

专利

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