(+/-)-N-(6,6-dimethyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-9-yl)-3-fluoro-4-methoxybenzamide hydrochloride | 258272-41-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: (+/-)-N-(6,6-dimethyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-9-yl)-3-fluoro-4-methoxybenzamide hydrochloride
• 英文别名: N-(6,6-dimethyl-2,3,5,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-9-yl)-3-fluoro-4-methoxybenzamide;hydrochloride
• CAS: 258272-41-2
• 化学式: C₂₂H₂₅FN₂O₂*ClH
• 分子量: 404.912
• InChiKey: QBFMRRTUXDIKJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.94
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  41.6
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• TRICYCLIC CARBOXAMIDES
  申请人：SmithKline Beecham plc

  公开号：EP1102769B1

  公开（公告）日：2003-04-16
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2000008020A2

  公开（公告）日：2000-02-17

  Compounds of formula (I) or salt thereof or solvate thereof, in which: m is 1 or 2; n is 1 or 2; X is CH or N; Y is selected from hydrogen, halogen, cyano, CF3, alkyl or alkoxy; R1, which may be at any position within the saturated ring system, is hydrogen or up to two substituents which may be the same or different and each of which is selected from fluoro and C¿1-6? alkyl; R?2¿ is hydrogen or up to four substituents selected from halogen, NO¿2?, CN, N3, CF3O-, CF3S-, CF3CO-, C1-6alkyl, C1-6alkenyl, C1-6alkynyl, C1-6perfluoroalkyl, C3-6cycloalkyl, C3-6cycloalkyl-C1-4alkyl-, C1-6alkylO-, C1-6-alkylCO-, C3-6cycloalkylO-, C3-6cycloalkylCO-, C3-6cycloalkyl-C1-4alkylO-, C3-6cycloalkyl-C1-4alkylCO-, phenyl, phenoxy, benzyloxy, benzoyl, phenyl-C1-4alkyl-, C1-6alkylS-, C1-6alkylSO2-, (C1-4alkyl)2NSO2-, (C1-4alkyl)NHSO2-, (C1-4alkyl)2NCO-, oxazolyl, (C1-4alkyl)NHCO-, CONH2; or R?4¿CONH- or -NR4R5, wherein R4 is hydrogen or C¿1-4? alkyl; and R?5¿ is hydrogen, C¿1-4?alkyl, formyl, -CO2C1-4alkyl or -COC1-4alkyl; or two R?2¿ groups are linked together form a carbocyclic or heterocyclic ring that is saturated or unsaturated and unsubstituted or substituted by -OH or =O are indicated to be useful in the treatment and pophylaxis of epilepsy, migraine, and other disorders.