96382-71-7 (托拉芬群,Dehydro Felodipine)

CAS号:
96382-71-7
中文名称:
托拉芬群
英文名称:
Dehydro Felodipine
分子式:
C18H17Cl2NO4
分子量:
382.237883329391
简介:
托拉芬群是一种化学物质,化学式是C28H31N3O4S。

托拉芬群(96382-71-7)名称与标识符

名称

中文别名:
脱氢非洛地平;4-(2,3-二氯苯基)-2,6-二甲基-3,5-吡啶二羧酸3-乙基5-甲酯;非洛地平脱氢;非洛地平杂质A;非洛地平杂质A(EP) 标准品;托拉芬群;非洛地平杂质C;
英文别名:
3,5-Pyridinedicarboxylicacid, 4-(2,3-dichlorophenyl)-2,6-dimethyl-, 3-ethyl 5-methyl ester;Dehydro Felodipine;3-O-ethyl 5-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate;DEHYDRO FELODIPINE-13C4;4-(2,3-Dichlorophenyl)-2,6-dimethyl pyridine-3,5dicarboxylic acid 3-ethyl ester 5-methyl ester;4-(2,3-Dichlorophenyl)-2,6-dimethyl-3,5-pyridinedicarboxylic Acid Ethyl Methyl Ester;Felodipine M (dehydro);H 152;3-ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate;Ethyl methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate;3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-2,6-dimethyl-, ethyl methyl ester (9CI);Dehydrofelodipine;H 152/37;AKOS030255825;4-(2,3-DICHLOROPHENYL)-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLIC ACID 3-ETHYL 5-METHYL ESTER;1L4A1EP86I;UNII-1L4A1EP86I;DB-272191;NS00115951;CHEBI:180623;H-152/37;Q-201088;CS-0366077;Q27252561;DTXSID90242215;Felodipine EP Impurity A;Dehydro Felodipine;96382-71-7;3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-2,6-dimethyl-, ethyl methyl ester;FELODIPINE IMPURITY A [EP IMPURITY];BCP33557;AS-78573;3,5-PYRIDINEDICARBOXYLIC ACID, 4-(2,3-DICHLOROPHENYL)-2,6-DIMETHYL-, 3-ETHYL 5-METHYL ESTER;Q-201108;SCHEMBL6949718;H152/37;

标识符

MDL:
MFCD08063660
InChIKey:
REQRUBNOOIAHMG-UHFFFAOYSA-N
Inchi:
1S/C18H17Cl2NO4/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/h6-8H,5H2,1-4H3
SMILES:
O=C(C1C(C2C(Cl)=C(Cl)C=CC=2)=C(C(OCC)=O)C(C)=NC=1C)OC

托拉芬群(96382-71-7)物化性质

实验特性

  • LogP : 4.63550
  • PSA : 65.49000
  • 折射率 : 1.564
  • 沸点 : 444.8°Cat760mmHg
  • 熔点 : 70-73C
  • 闪点 : 222.8°C
  • 溶解度 : 几乎不溶 (0.012 g/L) (25 ºC),
  • 密度 : 1.288±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 381.05300
  • 氢键供体数量 : 0
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 6
  • 同位素质量 : 381.0534634g/mol
  • 重原子数量 : 25
  • 复杂度 : 490
  • 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 : 0
  • 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) : 4.6
  • 拓扑分子极性表面积 : 65.5Ų

托拉芬群(96382-71-7)安全信息

托拉芬群(96382-71-7)海关数据

海关编码:
2933399090
海关数据:

中国海关编码:

2933399090

概述:

2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

托拉芬群(96382-71-7)合成路线

合成路线:1 步
反应条件:
参考文献:
Metal-Free-Mediated Oxidation Aromatization of 1,4-Dihydropyridines to Pyridines Using Visible Light and Air
Wei, Xiaojing; Wang, Lin; Jia, Wenliang; Du, Shaofu; Wu, Lizhu; et al, Chinese Journal of Chemistry, 2014, 32(12), 1245-1250
合成路线:1 步
反应条件:
参考文献:
Dehydrogenation aromatization synthesis method of dihydropyridine compound, and its application in drug quality control
, China, , ,
合成路线:1 步
反应条件:
参考文献:
3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
Luo, Jing; Chen, Hui; Wang, Qiao-Feng; Liu, Hai-Jing, Acta Crystallographica, 2010, 66(3),
合成路线:1 步
参考文献:
Dissolution test for felodipine tablets using chemical oxidation in situ to maintain 'sink conditions'
Felle, Kerstin; Persson, Bjoern; Vessman, Joergen, Journal of Pharmaceutical and Biomedical Analysis, 1984, 2(3-4), 527-36
合成路线:1 步
参考文献:
Pyridyl compounds and pharmaceutical compositions containing them
, World Intellectual Property Organization, , ,