Iodoresiniferatoxin | 535974-91-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: Iodoresiniferatoxin
• 英文别名: [(1R,2R,6R,10S,11R,13S,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(4-hydroxy-3-iodo-5-methoxyphenyl)acetate
• CAS: 535974-91-5
• 化学式: C₃₇H₃₉IO₉
• 分子量: 754.6
• InChiKey: TZUJORCXGLGWDV-DZBJMWFRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  47
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• AGONIST/ANTAGONIST COMPOSITIONS AND METHODS OF USE
  申请人：The United Sattes of America, as represented by the Secretary, Dept. of Health & Human Services

  公开号：US20190218156A1

  公开（公告）日：2019-07-18

  The present invention relates to novel compositions comprising an agonist and an antagonist, in certain ratios which allow for the onset of agonist action followed quickly by alleviation by antagonist action, and methods of use in personal defense and law enforcement.