N-(Adamantan-1-yl)-1-(4-fluorobutyl)-1H-indazole-3-carboxamide | 1445580-39-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: N-(Adamantan-1-yl)-1-(4-fluorobutyl)-1H-indazole-3-carboxamide
• 英文别名: N-(1-adamantyl)-1-(4-fluorobutyl)indazole-3-carboxamide
• CAS: 1445580-39-1
• 化学式: C₂₂H₂₈FN₃O
• 分子量: 369.5
• InChiKey: CBDPDVXPZYOIRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  46.9
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• NUCLEAR MAGNETIC RESONANCE IMPLEMENTED SYNTHETIC INDOLE AND INDAZOLE CANNABINOID DETECTION, IDENTIFICATION, AND QUANTIFICATION
  申请人：HOFSTRA UNIVERSITY

  公开号：US20220026380A1

  公开（公告）日：2022-01-27

  The present invention provides a method for detecting synthetic indole and indazole cannabinoids in a sample known or suspected to contain a synthetic indole or indazole cannabinoid. A deuterated solvent is added to the solid sample, creating a suspension. The suspension is mixed to release the cannabinoid from the solid sample. The suspension is subject to a NMR spectroscopy process to produce a sample NMR spectrum. The synthetic cannabinoid is detected in the suspension by analysis of the sample NMR spectrum. When one-dimensional proton NMR is used, detection of a first peak between 8.00 and 8.50 ppm and a second peak between 4.00 and 4.40 ppm, indicates the presence of a synthetic indole or indazole cannabinoid. When two-dimensional Correlation Spectroscopy (COSY) NMR is used, detection of a first spot between 6.50 and 9.00 ppm and a second spot between 1.50 and 4.50 ppm indicates the presence of a synthetic indole or indazole cannabinoid. The method is performed in the absence of chromatography and optionally, may be used to quantify the amount of synthetic cannabinoid.