0000000000705096

AUTHOR

Sascha Münster-müller

showing 3 related works from this author

Chemical profiling of the synthetic cannabinoid MDMB-CHMICA: Identification, assessment, and stability study of synthesis-related impurities in seize…

2019

In this work, the most discriminating synthesis-related impurities found in samples from seizures and controlled synthesis of the synthetic cannabinoid MDMB-CHMICA (methyl (S)-2-(1-(cyclohexylmethyl)-1H-indole-3-carboxamido)-3,3-dimethylbutanoate) were characterized. Based on 61 available powder samples of MDMB-CHMICA, 15 key-impurities were assessed, isolated in larger quantities via flash chromatography and structurally elucidated and characterized via high resolution mass spectrometry and nuclear magnetic resonance spectroscopy. Apart from verifying the relation of the impurities to the major component, the interpretation of their chemical structures with distinct structural elements pro…

IndolesControlled Synthesis ; Impurity Profiling ; Lc-ms ; Mdmb-chmica ; New Psychoactive Substances (nps)Pharmaceutical Science01 natural sciencesAnalytical Chemistry03 medical and health scienceschemistry.chemical_compound0302 clinical medicineColumn chromatographyThionyl chlorideOxalyl chlorideDrug StabilityLiquid chromatography–mass spectrometryImpurityTandem Mass SpectrometryEnvironmental ChemistryHATU030216 legal & forensic medicineDrug TraffickingSpectroscopyChromatography High Pressure LiquidChromatographyChemistryCannabinoidsIllicit Drugs010401 analytical chemistryNuclear magnetic resonance spectroscopy0104 chemical sciencesReagentDrug Contamination
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Characterization of the synthetic cannabinoid MDMB-CHMCZCA

2016

The synthetic cannabinoid MDMB-CHMCZCA was characterized by various spectroscopic techniques including NMR spectroscopy and tandem mass spectrometry. The synthetic sample was found to be of S-configuration by VCD spectroscopy and comparison of the data with DFT calculations, while ECD spectroscopy was found to be inconclusive in this case. The enantiomeric purity of samples from test purchases and police seizures was assessed by a self-developed chiral HPLC method.

medicine.medical_treatmentNPS010402 general chemistryTandem mass spectrometry01 natural sciencesFull Research Paperlcsh:QD241-441lcsh:Organic chemistrymedicinelcsh:Sciencechiral HPLCSpectroscopyChromatographyChemistry010401 analytical chemistryOrganic ChemistryNuclear magnetic resonance spectroscopy0104 chemical sciencesCharacterization (materials science)Chiral column chromatographyChemistryVCD spectroscopyECD spectroscopylcsh:QCannabinoidEnantiomersynthetic cannabinoidsBeilstein Journal of Organic Chemistry
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CCDC 1521512: Experimental Crystal Structure Determination

2017

Related Article: Carina Weber, Stefan Pusch, Dieter Schollmeyer, Sascha Münster-Müller, Michael Pütz, Till Opatz|2016|Beilstein J.Org.Chem.|12|2808|doi:10.3762/bjoc.12.279

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(S)-(Methyl N-([9-(cyclohexylmethyl)-9H-carbazol-3-yl]carbonyl)-3-methyl-L-valinate)Experimental 3D Coordinates
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