Identification and Structural Elucidation of a New Synthetic Cannabinoid, MDMB-5'Br-PINACA, in Seized Herbal...

Synthetic cannabinoids (SCs) remain the most frequently detected class of new psychoactive substances (NPS) worldwide. Despite a recent decline in the overall number of newly reported NPS, SCs continue to emerge with remarkable structural diversity. Here, we report the discovery and structural elucidation of MDMB-5'Br-PINACA, a previously unreported SC identified in three seized herbal materials. The compound was isolated by semipreparative liquid chromatography and subsequently characterized using an integrated analytical approach combining gas chromatography-mass spectrometry (GC-MS), liquid chromatography-high-resolution mass spectrometry (LC-HRMS), and nuclear magnetic resonance (NMR) spectroscopy. In addition to MDMB-5'Br-PINACA, other SCs were detected in the analyzed materials, such as 5F-ADB and MDMB-4en-PINACA, also including the synthetic precursor MDMB-INACA. Other NPS classes were also observed, including designer benzodiazepines (N-desalkylgidazepam and bromazolam), and synthetic opioids (metonitazene). Recent years have also seen the emergence of brominated SCs as a strategy to evade legislative control, with several 5-bromo analogs detected across different regions. This analytical workflow enabled the unambiguous identification of MDMB-5'Br-PINACA and provided a detailed chemical profile of the seized samples, highlighting the continued evolution and complexity of NPS mixtures in herbal formulations. The findings emphasize the importance of continuous monitoring and early detection of emerging substances, which are essential not only for forensic and toxicological investigations but also for public health surveillance and the development of evidence-based drug control and harm-reduction policies.