heroin | 13396-04-8

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 吗啡烷
• 英文名称: heroin
• 英文别名: [(4R,4aR,7aR,12bS)-9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate
• CAS: 13396-04-8
• 化学式: C₂₁H₂₃NO₅
• 分子量: 369.417
• InChiKey: GVGLGOZIDCSQPN-MJDYLINASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  65.1
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• Methods of Producing Pseudoscent Compositions of Narcotic Materials and Compositions Thereof
  申请人：Adebimpe David

  公开号：US20140311218A1

  公开（公告）日：2014-10-23

  This invention relates to a method that can be used to scientifically fabricate pseudoscents of narcotics, which, in their entirety, are comprised of non-narcotic materials. It also discloses specific compositions of such pseudoscents, which can be used as narcotic-free-but-odoriferously-identical simulants for a range of narcotics and are comprised of non-narcotic components of the scent signature of a narcotic and/or scent components of the same headspace scent signature that have narcotic qualities but have been rendered non-narcotic. The scents achievable by the groups of formulations generated by this method include the different types of prohibited and controlled narcotics, and the components within the pseudoscents can be further tuned to generate simulants representative of different qualities and quantities of such narcotics. These non-narcotic scent simulants can be used to bolster existing narcotic detector-dog training programs, establish new training paradigms in canine, rodent, insect, and other creature narcotic detection and training and, in some cases, increase the efficiencies of analytical instruments that rely on the phenomenon of vapor sampling to detect narcotic materials.