The crystal structures of methoxmetamine hydrochloride and methoxetamine hydrochloride determined from laboratory X-ray powder diffraction data contained in the Powder Diffraction File ™
Analio Dugarte-dugarte, Jacco van de Streek, Graciela Dı́az de Delgado, Joel W. Reid, Bronislav Jurásek, Martin Kuchař, Martin Babor, José Miguel Delgado
Powder Diffraction December 1, 2025 Peer reviewed DOI: 10.1017/s0885715625100948 via OpenAlex
Summary
The crystal structures of two arylcyclohexylamine derivatives, methoxmetamine·HCl and methoxetamine·HCl, were determined using X-ray powder diffraction. Methoxmetamine·HCl has parameters a = 15.0429 Å, b = 14.0721 Å, c = 6.5716 Å, and space group P 21/n, while methoxetamine·HCl has parameters a = 8.7772 Å, b = 9.9528 Å, c = 8.5841 Å, with space group P 21. These compounds exhibit anesthetic effects and have been used illicitly as recreational drugs.
Study at a glance
| Key finding | The crystal structures of methoxmetamine·HCl and methoxetamine·HCl were successfully determined and characterized. |
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Abstract
Abstract The crystal structures of two arylcyclohexylamine derivatives – methoxmetamine·HCl (2-(3-methoxyphenyl)-2-(methylamino)cyclohexan-1-one hydrochloride, MMXE·HCl) and methoxetamine·HCl (2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one hydrochloride, MXE·HCl) – have been determined using laboratory X-ray powder diffraction data contained in the Powder Diffraction File ™ . MMXE·HCl and MXE·HCl exhibit anesthetic and sedative effects and have been illicitly used as recreational drugs due to their dissociative hallucinogenic and euphoriant effects. The structure determination of MMXE·HCl and MXE·HCl was carried out with DASH, and the Rietveld refinements were performed with TOPAS Academic in monoclinic unit cells. The parameters obtained for MMXE·HCl were a = 15.0429(5) Å, b = 14.0721(5) Å, c = 6.5716(2) Å, β = 90.9864(14)°, and V = 1,390.91(8) Å 3 , with Z = 4 and space group P 2 1 / n. The parameters obtained for MXE·HCl were a = 8.7772(5) Å, b = 9.9528(7) Å, c = 8.5841(6) Å, β = 100.276(3)°, and V = 737.86(8) Å 3 , with Z = 2 and space group P 2 1 . The structures were validated by dispersion-corrected DFT calculations. Hirshfeld surface analysis and fingerprint plots calculations are also reported.