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Synthesis, characterisation, detection and quantification of a novel hexyl-substituted synthetic cannabinoid receptor agonist: (S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexyl-1H-indazole-3-carboxamide (ADB-HINACA)
Forensic Chemistry ( IF 2.7 ) Pub Date : 2021-08-30 , DOI: 10.1016/j.forc.2021.100354
Nicolas Gilbert 1, 2 , Andrew Costello 1, 3 , Jamie R. Ellison 1, 4 , Umer Khan 3 , Mark Knight 5 , Michael J. Linnell 6 , Robert Ralphs 7 , Ryan E. Mewis 1, 2 , Oliver B. Sutcliffe 1, 2
Affiliation  

Synthetic cannabinoid receptor agonists (SCRAs) are a continually evolving family of illicit drugs, with novel analogues frequently being detected. This paper reports the detection of a new N-hexyl-1H-indazole derivative, ADB-HINACA, within a herbal sample seized by law enforcement for the first time in the United Kingdom. The identity of the compound was confirmed via the synthesis of a pure ADB-HINACA reference standard and direct spectral comparison by 1H NMR and GC-EI-MS analysis. A full analytical profiling of ADB-HINACA by nuclear magnetic resonance (NMR), attenuated total reflection Fourier-transform infrared (FTIR) spectroscopy and gas chromatography-electron ionisation-mass spectrometry (GC-EI-MS) is reported and shows good concordance between the seized sample and the reference standard. A validated GC-EI-MS method for the routine quantification of the cannabinoid in seized samples (LOD: 1.7 μg/mL, LOQ: 5.8 μg/mL) was also developed and using this method, the seized herbal sample was determined to contain 4.9% w/w ADB-HINACA.



中文翻译:

一种新型己基取代的合成大麻素受体激动剂的合成、表征、检测和定量:(S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-hexyl-1H-吲唑-3-甲酰胺 (ADB-HINACA)

合成大麻素受体激动剂 (SCRA) 是一个不断发展的非法药物家族,经常检测到新的类似物。本文报告在英国执法部门首次查获的草药样品中检测到一种新的N-己基-1H-吲唑衍生物 ADB-HINACA。该化合物的身份确认通过由合成纯ADB-HINACA参考标准和直接光谱比较的1H NMR 和 GC-EI-MS 分析。报告了通过核磁共振 (NMR)、衰减全反射傅里叶变换红外 (FTIR) 光谱和气相色谱-电子电离-质谱 (GC-EI-MS) 对 ADB-HINACA 进行的全面分析,并显示了两者之间的良好一致性检出的样品和参考标准。还开发了一种经过验证的 GC-EI-MS 方法,用于对缉获样品中的大麻素进行常规定量(LOD: 1.7 μg/mL,LOQ:5.8 μg/mL),并使用该方法确定缉获的草药样品中含有 4.9 % w/w ADB-HINACA。 

更新日期:2021-09-09
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