EMCDDA合成大麻素命名框架

B. Pulver, S. Fischmann, A. Gallegos, R. Christie
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引用次数: 0

摘要

合成大麻素(SCs)是NPS中最大、结构最异质的一类。几个独立的命名约定被采用,导致不一致的,有时模棱两可的短名称。方法对EMCDDA监测的所有SCs进行评估,并对每个构建块进行字母编码。开发了一种扩展语法来组合构建块和它们的替换。现有的字母代码,包括高度识别的“FUB”和“gclone”字母代码,保持不变。结果化学多样性以图形和表格的形式呈现,提供了SCs的结构库。以前不一致的例子包括描述相同结构特征的多个字母代码(苄基- B/BENZ/BZ),系统名称的缩写不一致(甲基二甲基丁酸酯- MDMB,氨基二甲基异丁烷- ADMB),缺少重要部分的表示(例如5F-AB-FUPPYCA: 5-氟戊基尾,AB-CHMFUPPYCA:环己基甲基- chm尾)以及卤化结构缩写的多种方法。框架的原则是明确的、一致的、易于理解的字母代码,其中包含构建块共享的公共特性的缩写。EMCDDA框架仅适用于药物市场上出现的SCs,因为通知时间对分配给相应sc的字母代码有重大影响。结论EMCDDA命名SCs框架为实用信息、一致命名指导以及名称衍生的基本原理提供了宝贵的资源。随着商品市场的全球化,新兴商品的统一命名需要国际上的共同努力和合作。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
EMCDDA Framework for Naming Synthetic Cannabinoids

Introduction

Synthetic cannabinoids (SCs) are the largest and structurally most heterogeneous group of NPS. Several independent naming conventions have been employed, leading to inconsistent and sometimes ambiguous short names.

Methods

All SCs monitored by the EMCDDA were assessed, and letter codes were assigned to each building block. An expanded syntax was developed to combine building blocks and their substitution. Established letter codes, including the highly recognizable ‘FUB’ and ‘GaClone’ letter codes, were kept unchanged.

Results

The chemical diversity is presented in graphical and tabular format, providing a structural library of SCs. Examples of previous inconsistencies include multiple letter codes describing the same structural feature (benzyl – B/BENZ/BZ), inconsistent abbreviation of the systematic name (methyl dimethylbutanoate – MDMB, amino dimethyloxobutane – ADMB), missing representation of important parts (e.g. 5F-AB-FUPPYCA: 5-fluoropentyl tail, AB-CHMFUPPYCA: cyclohexylmethyl–CHM tail) and multiple approaches to the abbreviation of halogenated structures. The principles of the framework are unambiguous, consistent, and easy-to-understand letter codes with abbreviations of common features shared across building blocks. The EMCDDA framework applies only to SCs that have emerged on the drug market because the time of notification significantly impacts the letter code assigned to the respective SC.

Conclusions

The EMCDDA framework on naming SCs provides a valuable resource for practical information, guidance on consistent naming, and the rationale for how the names are derived. With the globalization of the market in SCs, there is a need for a concerted effort and international collaboration towards harmonized naming of emerging SCs.
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来源期刊
Emerging trends in drugs, addictions, and health
Emerging trends in drugs, addictions, and health Pharmacology, Psychiatry and Mental Health, Forensic Medicine, Drug Discovery, Pharmacology, Toxicology and Pharmaceutics (General)
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2.40
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