4-(1-octylamino)-5-hydroxy-2,6,6-trimethyl-2-cyclohepten-1-one hydrochloride | 184433-01-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(1-octylamino)-5-hydroxy-2,6,6-trimethyl-2-cyclohepten-1-one hydrochloride
• 英文别名: 5-Hydroxy-2,6,6-trimethyl-4-(octylamino)cyclohept-2-en-1-one;hydrochloride
• CAS: 184433-01-0
• 化学式: C₁₈H₃₃NO₂*ClH
• 分子量: 331.926
• InChiKey: PQRZCVRJGGKKBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.03
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  49.3
• 氢给体数：
  3
• 氢受体数：
  3

文献信息

• 4-AMINO-5-OXY-2,6,6-TRIMETHYL-2-CYCLOHEPTENE COMPOUNDS
  申请人：TOKYO TANABE COMPANY LIMITED

  公开号：EP0820982A1

  公开（公告）日：1998-01-28

  4-amino-5-oxy-2,6,6-trimethyl-2-cycloheptene compounds represented by the following general formula: (wherein R1 and R2 each independently represent a hydrogen atom, an alkyl group which may have a substituent, or a phenyl group which may have a hydroxyl group, lower alkoxy group, amino group, nitro group, carboxyl group, lower alkoxycarbonyl group or halogen atom, or R1, R2 and the nitrogen atom together represent a saturated nitrogen heterocyclic group; R3 represents a hydrogen atom, a lower alkyl group or a lower aliphatic acyl group); and W represents an oxo group, oxime group or oxime ether group; and their pharmacologically acceptable salts and solvates. The 4-amino-5-oxy-2,6,6-trimethyl-2-cycloheptene compounds exhibit an effect against rat peripheral arterial occlusion models, spontaneous hypertensive rats and histamine-induced airway contraction models, and are thus useful as remedy for hypertension, peripheral arterial occlusion and bronchial asthma.

  4-氨基-5-氧基-2,6,6-三甲基-2-环庚烯化合物，其通式如下： (其中 R1 和 R2 各自独立地代表一个氢原子、一个可带有取代基的烷基或一个可带有羟基、低级烷氧基、氨基、硝基、羧基、低级烷氧羰基或卤素原子的苯基，或 R1、R2 和氮原子共同代表一个饱和氮杂环基团；R3代表氢原子、低级烷基或低级脂肪酰基）；W代表羰基、肟基或肟醚基；以及它们的药理学上可接受的盐和溶剂。 4- 氨基-5-氧基-2,6,6-三甲基-2-环庚烯化合物对大鼠外周动脉闭塞模型、自发性高血压大鼠和组胺诱导的气道收缩模型均有疗效，因此可用于治疗高血压、外周动脉闭塞和支气管哮喘。
• US5849801A
  申请人：——

  公开号：US5849801A

  公开（公告）日：1998-12-15