2,3,4,5-tetrahydro-1H-1,5-methano-3-benzazepine-6,8-diamine | 950781-91-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2,3,4,5-tetrahydro-1H-1,5-methano-3-benzazepine-6,8-diamine
• 英文别名: 2,3,4,5-tetrahydro-1H-1,5-methano-3-benzazepin-6,8-diamine；1,5-Methano-1H-3-benzazepine-6,8-diamine, 2,3,4,5-tetrahydro-；10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-3,5-diamine
• CAS: 950781-91-6
• 化学式: C₁₁H₁₅N₃
• 分子量: 189.26
• InChiKey: GCAUCUQYUATCPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  64.1
• 氢给体数：
  3
• 氢受体数：
  3

文献信息

• VARENICLINE STANDARDS AND IMPURITY CONTROLS
  申请人：Busch Frank R.

  公开号：US20070224690A1

  公开（公告）日：2007-09-27

  The subject invention provides a varenicline composition that comprises varenicline, or a pharmaceutically acceptable salt thereof, and an amount of a compound selected from one or more of several mononitro, monoamino, mixed aminonitro, diamino or dinitro intermediates, and the concentration of said compound is greater than 0 ppm and not greater than about 500 ppm, not greater than about 100 ppm or not greater than about 10 ppm. Methods for synthesizing and using such varenicline compositions are also provided.

  该发明提供了一种包含瓦伦尼克林或其药学上可接受的盐以及从几种单硝基、单氨基、混合氨基硝基、双氨基或双硝基中选择的一种或多种中间体的化合物的量的瓦伦尼克林组合物，所述化合物的浓度大于0 ppm并且不大于约500 ppm，不大于约100 ppm或不大于约10 ppm。还提供了合成和使用这种瓦伦尼克林组合物的方法。
• [EN] VARENICLINE STANDARDS AND IMPURITY CONTROLS<br/>[FR] ETALONS DE VARENICLINE ET TEMOINS D'IMPURETES
  申请人：PFIZER PROD INC

  公开号：WO2007110730A2

  公开（公告）日：2007-10-04

  [EN] The subject invention provides a varenicline composition that comprises varenicline, or a pharmaceutically acceptable salt thereof, and an amount of a compound selected from one or more of several mononitro, monoamine mixed aminonitro, diamino or dinitro intermediates, and the concentration of said compound is greater than O ppm and not greater than about 500 ppm, not greater than about 100 ppm or not greater than about 10 ppm. Methods for synthesizing and using such varenicline compositions are also provided.
  [FR] La présente invention concerne une composition de varénicline qui comprend de la varénicline ou un de ses sels pharmaceutiquement acceptable et une quantité d'un composé choisi parmi un ou plusieurs intermédiaires mononitro, aminonitro mélangé à une monoamine, diamino ou dinitro, la concentration dudit composé étant supérieure à O ppm et non supérieure à environ 500 ppm, non supérieure à environ 100 ppm ou non supérieure à environ 10 ppm. L'invention concerne également des procédés de synthèse et d'utilisation de telles compositions de varénicline.