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Crystal structures of new psychoactive substances 4-HO-DET and 4-AcO-DET
Journal article   Peer reviewed

Crystal structures of new psychoactive substances 4-HO-DET and 4-AcO-DET

Marilyn Naeem, Christopher Pauli, Caleb King, Andrew R. Chadeayne, James A. Golen and David R. Manke
Acta crystallographica. Section E, Crystallographic communications, Vol.82(10)
10/01/2026

Abstract

The solid-state structures of 4-hydroxy- N , N -diethyltryptammonium (4-HO-DET) hydrofumarate systematic name: diethyl[2-(4-hydroxy-1 H -indol-3-yl)ethyl]azanium 3-carboxyprop-2-enoate, C 14 H 21 N 2 O + ·C 4 H 3 O 4 − , and 4-acetoxy- N , N -diethyltryptammonium (4-AcO-DET) fumarate/fumaric acid systematic name: bis[2-(4-acetoxy-1 H -indol-3-yl)ethyl]diethylazanium but-2-enedioate–( E )-butenedioic acid (1/1), 2C 16 H 23 N 2 O 2+ ·C 4 H 2 O 4 2− ·C 4 H 4 O 4 , were determined by single-crystal X-ray diffraction. The 4-HO-DET structure exhibits a single tryptammonium cation and a single hydrofumarate anion in the asymmetric unit. The ions are joined together by N—H...O and O—H...O hydrogen bonds in two-dimensional sheets lying in the (001) plane. The 4-AcO-DET structure exhibits a single tryptammonium cation, half of a fumarate dianion and half of a fumaric acid molecule in the asymmetric unit. The ions and molecules are joined together by N—H...O and O—H...O hydrogen bonds in an infinite three-dimensional network.
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https://doi.org/10.1107/S2056989026009217View
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