5-[4-[(4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-5-yl]phenoxy]pentyl-[2-[ethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫平类
• 英文名称: 5-[4-[(4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1lambda6-benzothiepin-5-yl]phenoxy]pentyl-[2-[ethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium
• 英文别名: 5-[4-[(4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxo-4,5-dihydro-2H-1λ6-benzothiepin-5-yl]phenoxy]pentyl-[2-[ethyl(dimethyl)azaniumyl]ethyl]-dimethylazanium
• 化学式: C39H67N3O4S+2
• 分子量: 674.0
• InChiKey: GIMUSKNKXWNBPK-XPSQVAKYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  47
• 可旋转键数：
  19
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  75.2
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Novel mono- and di-fluorinated benzothiepine compouds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake
  申请人：G.D. SEARLE, LLC

  公开号：US20040067872A1

  公开（公告）日：2004-04-08

  Mono-fluorinated and di-fluorinated benzothiepine apical sodium co-dependent bile acid transport (ASBT) inhibitors are disclosed together with methods of making the same, methods of using the same to treat hyperlipidemic conditions as well as pharmaceutical compositions containing the same compounds.

  本发明公开了单氟和二氟苯并噻吩顶部钠依赖性胆酸转运体（ASBT）抑制剂，以及制备这些抑制剂的方法，使用这些抑制剂治疗高脂血症的方法，以及含有这些化合物的药物组合物。
• Novel mono- and di-fluorinated beozothiepine copmunds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake
  申请人：G.D. SEARLE, LLC

  公开号：US20040176438A1

  公开（公告）日：2004-09-09

  Mono-fluorinated and di-fluorinated benzothiepine apical sodium co-dependent bile acid transport (ASBT) inhibitors are disclosed together with methods of making the same, methods of using the same to treat hyperlipidemic conditions as well as pharmaceutical compositions containing the same compounds.

  本文披露了单氟和双氟苯并噻吩顶部钠依赖性胆汁酸转运体（ASBT）抑制剂的方法，以及制备这些抑制剂的方法，使用这些抑制剂治疗高脂血症状况的方法，以及含有这些化合物的制药组合物。
• US6740663B2
  申请人：——

  公开号：US6740663B2

  公开（公告）日：2004-05-25