1H-1,2-benzodiazepine;methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 1H-1,2-benzodiazepine;methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
• 化学式: C26H29N3O4
• 分子量: 447.5
• InChiKey: DKJRKLUKHXCNQU-VZXSFKIWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.98
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  80.2
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• System and Method for Detection of Analytes in Exhaled Breath
  申请人：Sensa Bues AB

  公开号：US20140204374A1

  公开（公告）日：2014-07-24

  A device, system, and methods are disclosed for detecting the presence or determining a quantitative amount of at least one drug substance from exhaled breath of a subject in-situ. A collecting surface has a Surface Enhanced Raman Spectroscopy (SERS)-active layer that comprises at least one SERS-active material. The collecting surface is arranged as an outer surface of a waveguide for contact with exhaled breath, such that at least traces of said at least one drug substance in said exhaled breath can contact said SERS-active layer for read-out of a Raman shift spectrum that is detected in-situ for said detecting the presence or determining the quantitative amount of said at least one drug substance from said exhaled breath.