5-ethyl 7-methyl 6-(2-chlorophenyl)-8-methyl-3,4,6,7-tetrahydro-2H-1,4-benzoxazine-5,7-dicarboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 5-ethyl 7-methyl 6-(2-chlorophenyl)-8-methyl-3,4,6,7-tetrahydro-2H-1,4-benzoxazine-5,7-dicarboxylate
• 英文别名: 6-(2-Chloro-phenyl)-8-methyl-3,4,6,7-tetrahydro-2H-1,4-benzoxazine-5,7-dicarboxylic acid 5-ethyl ester 7-methyl ester；Amlodipine Impurity 31；5-O-ethyl 7-O-methyl 6-(2-chlorophenyl)-8-methyl-3,4,6,7-tetrahydro-2H-1,4-benzoxazine-5,7-dicarboxylate
• 化学式: C₂₀H₂₂ClNO₅
• 分子量: 391.851
• InChiKey: ZTKBXGUJDFQQPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  73.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  氨氯地平 生成 9-ethyl 7-methyl 8-(2-chlorophenyl)-6-methyl-1,3,4,8-tetrahydropyrido[2,1-c][1,4]oxazine-7,9-dicarboxylate 、 9-ethyl 7-methyl 8-(2-chlorophenyl)-6-methyl-3,4,8,9-tetrahydropyrido[2,1-c][1,4]oxazine-7,9-dicarboxylate 、 5-ethyl 7-methyl 6-(2-chlorophenyl)-8-methyl-3,4,6,7-tetrahydro-2H-1,4-benzoxazine-5,7-dicarboxylate
  参考文献：
  名称：

  氨氯地平热降解产物的结构解析

  摘要：

  氨氯地平碱的热降解引起分子内反应，产生三种环状产物，分别称为 AMLDEG-I、AMLDEG-II 和 AMLDEG-III。AMLDEG-I 是氨氯地平分子内消除氨形成的环化产物。AMLDEG-II 是 AMLDEG-I 的位置异构体。AMLDEG-III 也是分子内环化产物。三种降解产物通过柱色谱分离，并通过 FT-IR 和 1H 和 13C NMR 光谱数据进行表征。AMLDEG-III 被结晶，其结构通过单晶 X 射线衍射 (SXRD) 解析。版权所有 © 2007 John Wiley & Sons, Ltd.

  DOI：

  10.1002/mrc.2022

文献信息

• Pharmaceutical compositions of amlodipine and atorvastatin
  申请人：Alani Laman

  公开号：US20050107446A1

  公开（公告）日：2005-05-19

  A pharmaceutical composition comprising two components: (a) one component comprising a granulation of atorvastatin or pharmaceutically acceptable salts thereof and a carrier including an alkalizing agent that forms a pH greater than 5; and (b) a second component comprising amlodipine or pharmaceutically acceptable salts thereof and a carrier excluding an alkalizing agent that forms a pH greater than 5, wherein the two components are combined to form a final composition for a solid dosage form is described as well as methods to prepare the compositions, kits for containing such compositions, and a method of treating angina pectoris, atherosclerosis, combined hypertension and hyperlipidemia and/or hypercholesterolemia, and symptoms of cardiac risk using a therapeutically effective amount of the pharmaceutical composition.

  一种药物组合物，包括两个成分：(a) 一个成分包括阿托伐他汀或其药学上可接受的盐和一种载体，其中包括一种碱化剂，形成大于5的pH值；(b) 第二个成分包括氨氯地平或其药学上可接受的盐和一种载体，不包括形成大于5的pH值的碱化剂，将这两个成分结合形成最终的固体剂量形式的组合物，并描述了制备这些组合物的方法、包含这种组合物的套件，以及使用药物组合物的治疗方法，治疗心绞痛、动脉粥样硬化、高血压和高脂血症以及心脏风险症状，使用治疗上有效的药物组合物。
• PHARMACEUTICAL COMPOSITIONS OF AMLODIPINE AND ATORVASTATIN
  申请人：Warner-Lambert Company LLC

  公开号：EP1411923A1

  公开（公告）日：2004-04-28
• [EN] PHARMACEUTICAL COMPOSITIONS OF AMLODIPINE AND ATORVASTATIN<br/>[FR] COMPOSITIONS PHARMACEUTIQUES D'AMLODIPINE ET D'ATORVASTATINE
  申请人：WARNER LAMBERT CO

  公开号：WO2003011283A1

  公开（公告）日：2003-02-13

  A pharmaceutical composition comprising two components: (a) one component comprising a granulation of atorvastatin or pharmaceutically acceptable salts thereof and a carrier including an alkalizing agent that forms a pH greater than 5; and (b) a second component comprising amlodipine or pharmaceutically acceptable salts thereof and a carrier excluding an alkalizing agent that forms a pH greater than 5, wherein the two components are combined to form a final composition for a solid dosage form is described as well as methods to prepare the compositions, kits for containing such compositions, and a method of treating angina pectoris, atherosclerosis, combined hypertension and hyperlipidemia and/or hypercholesterolemia, and symptoms of cardiac risk using a therapeutically effective amount of the pharmaceutical composition.
• Structure elucidation of thermal degradation products of amlodipine
  作者：A. Siva Lakshmi Devi、Y. Srinivasa Rao、M. Satish、G. Jyothi、K. Babu Rao、T. Omdutt

  DOI：10.1002/mrc.2022

  日期：2007.8

  Thermal degradation of amlodipine base causes intramolecular reactions affording three cyclic products, referred to as AMLDEG‐I, AMLDEG‐II, and AMLDEG‐III, respectively. AMLDEG‐I is a cyclized product formed by intramolecular elimination of ammonia from amlodipine. AMLDEG‐II is a positional isomer of AMLDEG‐I. AMLDEG‐III is also intramolecular cyclisation product. The three degradation products were isolated

  氨氯地平碱的热降解引起分子内反应，产生三种环状产物，分别称为 AMLDEG-I、AMLDEG-II 和 AMLDEG-III。AMLDEG-I 是氨氯地平分子内消除氨形成的环化产物。AMLDEG-II 是 AMLDEG-I 的位置异构体。AMLDEG-III 也是分子内环化产物。三种降解产物通过柱色谱分离，并通过 FT-IR 和 1H 和 13C NMR 光谱数据进行表征。AMLDEG-III 被结晶，其结构通过单晶 X 射线衍射 (SXRD) 解析。版权所有 © 2007 John Wiley & Sons, Ltd.