NMR-based structure elucidation and chiral separation of N-cyclohexylmethylone, a novel designer drug

IF 2.2 3区医学 Q1 MEDICINE, LEGAL

Forensic science international Pub Date : 2025-02-01 DOI:10.1016/j.forsciint.2024.112351

Elisabeth Seibert , Olaf Kunert , Eva-Maria Pferschy-Wenzig , Martin G. Schmid

引用次数: 0

Abstract

Synthetic cathinones belong to one of the biggest and most popular classes of New Psychoactive Substances. Each year, new derivatives appear on the drug market, traded under various labels like “bath salts” or “legal highs”. In recent years, the emergence of new cathinone derivatives, containing a cyclohexyl residue, has been observed. Since 2021, threads about N-cyclohexylmethylone have been posted in various user forums. A powder sample of N-cyclohexylmethylone purchased by a client was collected in Austria in a local drug checking program and analyzed by GC-MS, LC-HRMS NMR spectroscopy and chiral HPLC. The aim of this study was to provide experimental NMR data of the compound and to determine the chiral status of the sample. Usually, cathinone derivatives are sold as racemic mixtures on the market. Investigation showed that in the sample both enantiomers were present.

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新型设计药物n -环己基甲基的核磁共振结构解析与手性分离。

合成卡西酮属于最大和最流行的一类新型精神活性物质。每年都有新的衍生品出现在毒品市场上，以各种各样的标签进行交易，比如“浴盐”或“合法兴奋剂”。近年来，出现了新的含有环己基残基的卡西酮衍生物。自2021年以来，关于n -环己基甲基的帖子已经在各种用户论坛上发布。客户购买的n -环己基甲基酮粉末样品在奥地利当地的药品检查程序中采集，并通过GC-MS， LC-HRMS NMR和手性HPLC进行分析。本研究的目的是提供该化合物的实验核磁共振数据，并确定样品的手性状态。通常，卡西酮衍生物在市场上以外消旋混合物的形式出售。研究表明，样品中存在两种对映体。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Forensic science international 医学-医学：法

CiteScore

5.00

自引率

9.10%

发文量

285

审稿时长

49 days

期刊介绍： Forensic Science International is the flagship journal in the prestigious Forensic Science International family, publishing the most innovative, cutting-edge, and influential contributions across the forensic sciences. Fields include: forensic pathology and histochemistry, chemistry, biochemistry and toxicology, biology, serology, odontology, psychiatry, anthropology, digital forensics, the physical sciences, firearms, and document examination, as well as investigations of value to public health in its broadest sense, and the important marginal area where science and medicine interact with the law. The journal publishes: Case Reports Commentaries Letters to the Editor Original Research Papers (Regular Papers) Rapid Communications Review Articles Technical Notes.