Hostname: page-component-77c89778f8-7drxs Total loading time: 0 Render date: 2024-07-20T08:32:51.675Z Has data issue: false hasContentIssue false

X-ray powder diffraction data for methoxetamine hydrochloride, C15H22ClNO2

Published online by Cambridge University Press:  22 August 2017

J. Maixner*
Affiliation:
Central Laboratories, University of Chemistry and Technology Prague, Technická 5, 166 28 Prague 6, Czech Republic
B. Jurásek
Affiliation:
Department of Chemistry of Natural Compounds, University of Chemistry and Technology Prague, Technická 5, 166 28 Prague 6, Czech Republic Forensic Laboratory of Biologically Active Substances, University of Chemistry and Technology Prague, Technická 5, Prague 6, 166 28, Czech Republic
M. Himl
Affiliation:
Department of Organic Chemistry, University of Chemistry and Technology Prague, Technická 5, 166 28 Prague 6, Czech Republic
M. Kuchař
Affiliation:
Department of Chemistry of Natural Compounds, University of Chemistry and Technology Prague, Technická 5, 166 28 Prague 6, Czech Republic Forensic Laboratory of Biologically Active Substances, University of Chemistry and Technology Prague, Technická 5, Prague 6, 166 28, Czech Republic
M. Babor
Affiliation:
Department of Solid State Chemistry, University of Chemistry and Technology Prague, Technická 5, 166 28 Prague 6, Czech Republic
*
a)Author to whom correspondence should be addressed. Electronic mail: jaroslav.maixner@vscht.cz

Abstract

X-ray powder diffraction data, unit-cell parameters and space group for 2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one hydrochloride, C15H22ClNO2, are reported [a = 8.574(2) Å, b = 9.943(2) Å, c = 8.774(1) Å, β = 100.294(3)°, unit-cell volume V = 736(1) Å3, Z = 2, and space-group P21]. All measured lines were indexed and are consistent with the P21 space group. No detectable impurities were observed.

Type
New Diffraction Data
Copyright
Copyright © International Centre for Diffraction Data 2017 

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Allen, F. H. (2002). “The Cambridge Structural Database: a quarter of a million crystal structures and rising,” Acta Crystallogr. B58, 380388.CrossRefGoogle Scholar
de Wolff, P. M. (1968). “A simplified criterion for the reliability of a powder pattern,” J. Appl. Crystallogr. 1, 108113.CrossRefGoogle Scholar
EMCDDA (2014). “Methoxetamine – report on the risk assessment of 2-(3-methoxyphenyl)-2-(ethylamino)cyclohexanone (methoxetamine) in the framework of the council decision on new psychoactive substances,” Risk Assess., 15, 126.Google Scholar
Frison, G., Zamengo, L., Zancanaro, F., Tisato, F., and Traldi, P. (2016). “Characterization of the designer drug deschloroketamine (2-methylamino-2-phenylcyclohexanone) by gas chromatography/mass spectrometry, liquid chromatography/high-resolution mass spectrometry, multistage mass spectrometry, and nuclear magnetic resonance,” Rapid Commun. Mass Spectrom. 30, 151160.CrossRefGoogle ScholarPubMed
Hajkova, K., Jurasek, B., Sykora, D., Palenicek, T., Miksatkova, P., and Kuchar, M. (2016). “Salting-out-assisted liquid–liquid extraction as a suitable approach for determination of methoxetamine in large sets of tissue samples,” Anal. Bioanal. Chem. 408, 11711181.CrossRefGoogle ScholarPubMed
Hays, P. A., Casale, J. F., and Berrier, A. L. (2012). “The characterization of 2-(3-methoxyphenyl)-2-(ethylamino)cyclohexanone (methoxetamine),” Microgram J. 9, 317.Google Scholar
Hofer, K. E., Degrandi, C., Müller, D. M., Zürrer-Härdi, U., Wahl, S., Rauber-Lüthy, C., and Ceschi, A. (2014). “Acute toxicity associated with the recreational use of the novel dissociative psychoactive substance methoxphenidine,” Clin. Toxicol. 52, 12881291.CrossRefGoogle ScholarPubMed
Horsley, R. R., Lhotkova, E., Hajkova, K., Jurasek, B., Kuchar, M., and Palenicek, T. (2016). “Detailed pharmacological evaluation of methoxetamine (MXE), a novel psychoactive ketamine analogue—behavioural, pharmacokinetic and metabolic studies in the Wistar rat,” Brain Res. Bull. 126, 102110.CrossRefGoogle ScholarPubMed
ICDD (2015). “Powder diffraction file,” edited by S. Kabekkodu, International Centre for Diffraction Data, 12 Campus Boulevard, Newton Square, Pennsylvania 19073-3272.Google Scholar
Jurasek, B. and Kuchar, M. (2016). “Methoxetamine,” Drugs Forensics Bull. 1, 2731.Google Scholar
Menzies, E. L., Hudson, S. C., Dargan, P. I., Parkin, M. C., Wood, D. M., and Kicman, A. T. (2014). “Characterizing metabolites and potential metabolic pathways for the novel psychoactive substance methoxetamine,” Drug Test. Anal. 6, 506515.CrossRefGoogle ScholarPubMed
Morris, H. and Wallach, J. (2014). “From PCP to MXE: a comprehensive review of the non-medical use of dissociative drugs,” Drug Test. Anal. 6, 614632.CrossRefGoogle ScholarPubMed
Smith, G. S. and Snyder, R. L. (1979). “FN: a criterion for rating powder diffraction pattern and evaluating the reliability of powder indexing,” J. Appl. Crystallogr. 12, 6065.CrossRefGoogle Scholar
Stevens, C. L. and Parke, D. (1966). “Aminoketones and methods for their production., ” Patent US3254124.Google Scholar
Werner, P. E., Erikson, L., and Westdahl, M. (1985). “TREOR, a semi-exhaustive trial-and-error powder indexing program for all symmetries,” J. Appl. Crystallogr., 18, 367370.CrossRefGoogle Scholar
Zanda, M. T., Fadda, P., Chiamulera, C., Fratta, W., and Fattore, L. (2016). “Methoxetamine, a novel psychoactive substance with serious adverse pharmacological effects,” Behav. Pharmacol. 27, 489496.CrossRefGoogle ScholarPubMed
Zawilska, J. B. (2014). “Methoxetamine – a novel recreational drug with potent hallucinogenic properties,” Toxicol. Lett. 230, 402407.CrossRefGoogle ScholarPubMed
Supplementary material: File

Maixner et al supplementary material

Maixner et al supplementary material 1

Download Maixner et al supplementary material(File)
File 30.9 KB