Designer benzodiazepines’ pharmacological effects and potencies: How to find the information

2020 ◽  
Vol 34 (9) ◽  
pp. 1021-1029 ◽  
Author(s):  
Souleiman El Balkhi ◽  
Caroline Monchaud ◽  
Frédéric Herault ◽  
Hélène Géniaux ◽  
Franck Saint-Marcoux
Keyword(s):  
Structural Analysis ◽  
Functional Groups ◽  
Chemical Structure ◽  
Scientific Data ◽  
New Psychoactive Substances ◽  
Pharmacological Effects ◽  
Psychoactive Substances ◽  
Data Source ◽  
The Impact ◽  
Designer Benzodiazepines

Background: Scientific data on the psychopharmacological effects of new psychoactive substances (NPSs) are scarce. Web fora contain a wealth of information posted by users as trip reports (TRs), but the reliability of the reports remains questionable because of the nature of the used molecule and the potential for dose inaccuracies. We focused on the TRs of designer benzodiazepine (DBZD) users since their psychopharmacological effects are similar to prescription benzodiazepines (BZDs). Moreover, the impact of functional groups on the BZD rings with regards to the potency has been fairly/quite studied, allowing structural analysis. Methods: DBZDs offering more than 15 TRs with at least two accounts on experienced effects were included. Data were analyzed with the empirical phenomenological psychological method. Reported effects were analyzed and the pharmacological potencies of DBZDs were compared by calculating a ‘potency score’. Results: In total, 197 TRs for clonazolam, deschloroetizolam, diclazepam, etizolam, flubromazepam, flubromazolam, meclonazepam, metizolam, nifoxipam and pyrazolam were analyzed. Effects similar to prescription BZDs were reported for all the selected DBZDs. Pyrazolam was reported to be the most anxiolytic DBZD, flubromazolam the most hypnotic, etizolam the most euphoric and flubromazolam and clonazolam as the most amnesic DBZDs. Diclazepam and pyrazolam were not reported to induce euphoria. Flubromazepam, flubromazolam, clonazolam and meclonazepam were the most potent and deschloroetizolam, nifoxipam, metizolam and pyrazolam the least potent. The chemical structure of the different DBZDs and the functional groups on the BZD rings confirmed this ranking, except for nifoxipam. Conclusions: When information on NPSs obtained from Internet fora are abundant, it could be considered as an appreciable data source.

Crystallographic characterization of three cathinone hydrochlorides new on the NPS market: 1-(4-methylphenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-MPHP), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP) and 2-(methylamino)-1-(4-methylphenyl)pentan-1-one (4-MPD)

2022 ◽  
Vol 78 (1) ◽  
Author(s):  
Marcin Rojkiewicz ◽  
Piotr Kuś ◽  
Maria Książek ◽  
Joachim Kusz
Keyword(s):  
Chemical Structure ◽  
Crystallographic Data ◽  
New Psychoactive Substances ◽  
Monoclinic Space Group ◽  
Psychoactive Substances ◽  
Space Group ◽  
X Ray ◽  
X Ray Crystallography ◽  
Analytical Laboratories

Cathinones belong to a group of compounds of great interest in the new psychoactive substances (NPS) market. Constant changes to the chemical structure made by the producers of these compounds require a quick reaction from analytical laboratories in ascertaining their characteristics. In this article, three cathinone derivatives were characterized by X-ray crystallography. The investigated compounds were confirmed as: 1-[1-(4-methylphenyl)-1-oxohexan-2-yl]pyrrolidin-1-ium chloride (1, C17H26NO+·Cl−, the hydrochloride of 4-MPHP), 1-(4-methyl-1-oxo-1-phenylpentan-2-yl)pyrrolidin-1-ium chloride (2; C16H24NO+·Cl−, the hydrochloride of α-PiHP) and methyl[1-(4-methylphenyl)-1-oxopentan-2-yl]azanium chloride (3; C13H20NO+·Cl−, the hydrochloride of 4-MPD). All the salts crystallize in a monoclinic space group: 1 and 2 in P21/c, and 3 in P21/n. To the best of our knowledge, this study provides the first detailed and comprehensive crystallographic data on salts 1–3.

scholarly journals Assessing self-reported use of new psychoactive substances: The impact of gate questions

2017 ◽  
Vol 43 (5) ◽  
pp. 609-617 ◽  
Author(s):  
Joseph J. Palamar ◽  
Patricia Acosta ◽  
Fermín Fernández Calderón ◽  
Scott Sherman ◽  
Charles M. Cleland
Keyword(s):  
New Psychoactive Substances ◽  
Psychoactive Substances ◽  
The Impact

scholarly journals Crystal Structures and Spectroscopic Characterization of Four Synthetic Cathinones: 1-(4-Chlorophenyl)-2-(Dimethylamino)Propan-1-One (N-Methyl-Clephedrone, 4-CDC), 1-(1,3-Benzodioxol-5-yl)-2-(Tert-Butylamino)Propan-1-One (tBuONE, Tertylone, MDPT), 1-(4-Fluorophenyl)-2-(Pyrrolidin-1-yl)Hexan-1-One (4F-PHP) and 2-(Ethylamino)-1-(3-Methylphenyl)Propan-1-One (3-Methyl-Ethylcathinone, 3-MEC)

Crystals ◽  
2019 ◽  
Vol 9 (11) ◽  
pp. 555 ◽  
Author(s):  
Marta Siczek ◽  
Miłosz Siczek ◽  
Paweł Szpot ◽  
Marcin Zawadzki ◽  
Olga Wachełko
Keyword(s):  
Chemical Structure ◽  
Drug Market ◽  
Spectroscopic Characterization ◽  
Synthetic Cathinones ◽  
New Psychoactive Substances ◽  
Psychoactive Substances ◽  
X Ray ◽  
Similar Chemical ◽  
Solution Nuclear Magnetic Resonance

Every year new synthetic cathinones are flooding the European drug market. They gain more and more popularity in place of cathinones that became illegal. Compounds from both groups, “classic” and “new” cathinones, have a similar chemical structure and, as a consequence, their psychoactive properties are not much different. Cathinone analogs were secured by the police during the search of a suspect’s apartment. The aim of this paper was to present results of analyses and identification of these synthetic cathinones. The structure of new psychoactive substances (NPS) was identified by single-crystal X-ray analysis, solution nuclear magnetic resonance (NMR), UHPLC-QQQ-MS/MS and GC-MS.

scholarly journals Computer-Aided Classification of New Psychoactive Substances

2021 ◽  
Vol 2021 ◽  
pp. 1-11
Author(s):  
Alina Bărbulescu ◽  
Lucica Barbeș ◽  
Cristian-Ştefan Dumitriu
Keyword(s):  
Chemical Structure ◽  
Molecular Similarity ◽  
Free Market ◽  
Synthetic Cannabinoids ◽  
Structural Similarity ◽  
New Psychoactive Substances ◽  
Psychoactive Substances ◽  
Heat Map ◽  
Qsar Analysis

The appearance on the free market of synthetic cannabinoids raised the researchers’ interest in establishing their molecular similarity by QSAR analysis. A rigorous criterion for classifying drugs is their chemical structure. Therefore, this article presents the structural similarity of two groups of drugs: benzoylindoles and phenylacetylindoles. Statistical analysis and clustering of the molecules are performed based on their numerical characteristics extracted using Cheminformatics methods. Their similarities/dissimilarities are emphasized using the dendrograms and heat map. The highest discrepancies are found in the phenylacetylindoles group.

scholarly journals Methylone and pentylone: structural analysis of new psychoactive substances

2019 ◽  
Vol 37 (2) ◽  
pp. 366-377 ◽  
Author(s):  
Dita Spálovská ◽  
Tereza Maříková ◽  
Michal Kohout ◽  
František Králík ◽  
Martin Kuchař ◽  
...  
Keyword(s):  
Structural Analysis ◽  
New Psychoactive Substances ◽  
Psychoactive Substances

Influence of the distribution of the shear walls on the seismic response of the buildings

2020 ◽  
Vol 15 (1) ◽  
pp. 37-44
Author(s):  
El Mehdi Echebba ◽  
Hasnae Boubel ◽  
Oumnia Elmrabet ◽  
Mohamed Rougui
Keyword(s):  
Structural Analysis ◽  
Seismic Response ◽  
Natural Frequency ◽  
Structural Design ◽  
Structural Response ◽  
Shear Walls ◽  
Structural Elements ◽  
Analysis Software ◽  
Ansys Apdl ◽  
The Impact

Abstract In this paper, an evaluation was tried for the impact of structural design on structural response. Several situations are foreseen as the possibilities of changing the distribution of the structural elements (sails, columns, etc.), the width of the structure and the number of floors indicates the adapted type of bracing for a given structure by referring only to its Geometric dimensions. This was done by studying the effect of the technical design of the building on the natural frequency of the structure with the study of the influence of the distribution of the structural elements on the seismic response of the building, taking into account of the requirements of the Moroccan earthquake regulations 2000/2011 and using the ANSYS APDL and Robot Structural Analysis software.

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