4,5-dihydro-7-chloro-10H-1-methyl-10-oxo-benzo[5,6]cyclohepta[1,2-b]pyrrole-2-acetic acid | 78701-99-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 4,5-dihydro-7-chloro-10H-1-methyl-10-oxo-benzo[5,6]cyclohepta[1,2-b]pyrrole-2-acetic acid
• 英文别名: 2-(12-Chloro-4-methyl-2-oxo-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaen-5-yl)acetic acid
• CAS: 78701-99-2
• 化学式: C₁₆H₁₄ClNO₃
• 分子量: 303.745
• InChiKey: ORCKXJASKJHLAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  59.3
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Benzocycloheptapyrrolealkanoic acids and their derivatives, processes for their preparation and pharmaceutical compositions containing them
  申请人：BEECHAM GROUP PLC

  公开号：EP0024807A1

  公开（公告）日：1981-03-11

  Compounds of formula (II): wherein R is a C1-4alkyl group; R, is a hydrogen atom or a C1-4alkyl group; R2 is a hydrogen or halogen atom, or a C1-4alkyl, C1-4alkyl, C1-4alkoxy or C1-4alkylthio group; and the dotted line represents an optionally present double bond; and pro-drugs thereof; and the pharmaceutically acceptable salts of the compounds of formula (11) and of their pro-drugs; they have useful anti-inflammatory and analgesic activity; processes for the preparation of the novel compounds; novel starting compounds for these processes and novel intermediates for the preparation of starting compounds.

  式(II)化合物：其中R是C1-4烷基；R，是氢原子或C1-4烷基；R2是氢原子或卤素原子，或C1-4烷基、C1-4烷基、C1-4烷氧基或C1-4烷硫基；虚线代表任选存在的双键；及其原药；以及式(11)化合物及其原药的药学上可接受的盐；它们具有有用的抗炎和镇痛活性；制备这些新型化合物的工艺；用于这些工艺的新型起始化合物以及用于制备起始化合物的新型中间体。
• US4444981A
  申请人：——

  公开号：US4444981A

  公开（公告）日：1984-04-24