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X-ray powder diffraction data for (S)-Deschloroketamine hydrochloride, C13H18ClNO

Published online by Cambridge University Press:  21 June 2017

J. Maixner ,
B. Jurásek ,
M. Kohout ,
M. Kuchař  and
P. Kačer
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, Faculty of Food and Biochemical Technology, 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. Kohout
Affiliation:
Department of Organic Chemistry, University of Chemistry and Technology Prague, Technická 5, CZ-166 28 Prague 6, Czech Republic
M. Kuchař
Affiliation:
Department of Chemistry of Natural Compounds, Faculty of Food and Biochemical Technology, 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
P. Kačer
Affiliation:
Department of Organic Technology, University of Chemistry and Technology Prague, Technická 5, CZ-166 28 Prague 6, Czech Republic
*
a)Author to whom correspondence should be addressed. Electronic mail: jaroslav.maixner@vscht.cz
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Abstract

X-ray powder diffraction data, unit-cell parameters, and space group for S-2-(methylamino)-2-phenylcyclohexan-1-one hydrochloride, C13H18ClNO, are reported [a = 6.578 (1) Å, b = 13.250 (2) Å, c = 15.096 (2) Å, β = 91.619 (3)°, unit-cell volume V = 1315(1) Å3, Z = 4, and space group P21]. All measured lines were indexed and are consistent with the P21 space group. No detectable impurities were observed.

Keywords

X-ray powder diffractiondeschloroketamineNSDnew synthetic drugsnew psychoactive substancesdesigner drugsdissociative anesthetics
Type
New Diffraction Data
Information
Powder Diffraction , Volume 32 , Issue 3 , September 2017 , pp. 193 - 195
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Copyright
Copyright © International Centre for Diffraction Data 2017 

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References

Allen, F. H. (2002). “The Cambridge Structural Database: a quarter of a million crystal structures and rising,” Acta Cryst. B58, 380–388.CrossRefGoogle Scholar
Boultif, A. and Louër, D. (2004). “Powder pattern indexing with the dichotomy method,” J. Appl. Crystallogr. 37, 724–731.CrossRefGoogle Scholar
de Wolff, P. M. (1968).“A simplified criterion for the reliability of a powder pattern,” J. Appl. Crystallogr. 1, 108–113.CrossRefGoogle Scholar
Dolgin, E. (2013). “Rapid antidepressant effects of ketamine ignite drug discovery,” Nat. Med. 19, 8–8.CrossRefGoogle ScholarPubMed
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, 151–160.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
Jurásek, B. and Kuchař, M. (2016). “Methoxetamine,” Drugs Forensics Bull. 1, 27–31.Google Scholar
Lambdasyn (2015). “Synthese von 2-methylamino – 2-phenylcyclohexanon (MPCH),” http://www.lambdasyn.org/synfiles/mpch.htm (accessed 8.17.16).Google Scholar
Preiss, D. and Tatar, A. (1995). “Use of 2-methylamino-2-phenylcyclohexanone for the treatment of bacterial, fungal, viral or protozoal infections and for immunomodulation,” Patent DE4409671C1.Google Scholar
Preiss, D. and Tatar, A. (2000). “Use of 2-methylamino-2-phenylcyclohexanone for the treatment of bacterial infections,” Patent US6083992 (A).Google Scholar
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, 60–65.CrossRefGoogle Scholar
Stevens, C. L. and Parke, D. (1966). “Aminoketones and methods for their production,” Patent US3254124.Google Scholar
Stevens, C. L., Hanson, H. T., and Taylor, K. G. (1966). “Amino ketone rearrangements. V. A kinetic analysis,” J. Am. Chem. Soc. 88, 2769–2774.CrossRefGoogle Scholar
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