PMID- 36274344
OWN - NLM
STAT- MEDLINE
DCOM- 20221129
LR  - 20221129
IS  - 1872-6283 (Electronic)
IS  - 0379-0738 (Linking)
VI  - 341
DP  - 2022 Dec
TI  - New ketamine analogue: 2-fluorodeschloro-N-ethyl-ketamine and its suggested 
      metabolites.
PG  - 111501
LID - S0379-0738(22)00331-0 [pii]
LID - 10.1016/j.forsciint.2022.111501 [doi]
AB  - Identifying new psychoactive substances (NPSs) and their metabolites is essential 
      for regulating such substances for purposes of law enforcement and forensics. 
      NPSs can be regulated on the basis of their chemical structures before they 
      become a critical threat to society. Further, NPS metabolites can be targeted for 
      analysis in urine, blood, and hair. This case study reports an incident in which 
      10 bags with approximately 15 g of crystalline material were seized from suspects 
      by law enforcement officers and sent to the laboratory for confirmation. Gas 
      chromatography-mass spectrometry, liquid chromatography-high-resolution mass 
      spectrometry, and nuclear magnetic resonance (NMR) were employed to analyze these 
      materials. The analyses revealed that the materials were a new ketamine analog, 
      2-fluorodeschloro-N-ethyl-ketamine (2-FDCNEK). Single-crystal X-ray diffraction 
      (SXRD) analysis was also employed to confirm this result. In addition, 
      metabolites of 2-FDCNEK were investigated using a fungal model and a urine sample 
      from an abuser. The results suggest that 2-FDCNEK and 
      2-fluorodeschoro-norketamine are optimal metabolites for biological samples. This 
      report presents the mass fragmentation, NMR analysis, and SXRD data of 2-FDCNEK. 
      In addition, it provides suggestions regarding metabolites of 2-FDCNEK for law 
      enforcement and forensic purposes, thereby facilitating the detection of this new 
      ketamine analog.
CI  - Copyright (c) 2022 Elsevier B.V. All rights reserved.
FAU - Yen, Yao-Te
AU  - Yen YT
AD  - Department of Forensic Science, Investigation Bureau, Ministry of Justice, 
      Xindian, New Taipei 231209, Taiwan, ROC. Electronic address: 
      D05223113@ntu.edu.tw.
FAU - Tsai, Yi-Shiuan
AU  - Tsai YS
AD  - Department of Forensic Science, Investigation Bureau, Ministry of Justice, 
      Xindian, New Taipei 231209, Taiwan, ROC.
FAU - Su, Wen-Liang
AU  - Su WL
AD  - Department of Forensic Science, Investigation Bureau, Ministry of Justice, 
      Xindian, New Taipei 231209, Taiwan, ROC.
FAU - Huang, Deng-Ying
AU  - Huang DY
AD  - Department of Forensic Science, Investigation Bureau, Ministry of Justice, 
      Xindian, New Taipei 231209, Taiwan, ROC.
FAU - Wu, Hsin-Hui
AU  - Wu HH
AD  - Department of Forensic Science, Investigation Bureau, Ministry of Justice, 
      Xindian, New Taipei 231209, Taiwan, ROC.
FAU - Tseng, Shih-Hao
AU  - Tseng SH
AD  - Department of Forensic Science, Investigation Bureau, Ministry of Justice, 
      Xindian, New Taipei 231209, Taiwan, ROC.
FAU - Wang, Hsiao-Hui
AU  - Wang HH
AD  - Department of Laboratory Medicine, Tsaotun Psychiatric Center, Ministry of Health 
      and Welfare, Nantou 54249, Taiwan, ROC.
FAU - Chiu, Chu-Yin
AU  - Chiu CY
AD  - Department of Laboratory Medicine, Tsaotun Psychiatric Center, Ministry of Health 
      and Welfare, Nantou 54249, Taiwan, ROC.
FAU - Wang, Chung-Feng
AU  - Wang CF
AD  - Department of Forensic Science, Investigation Bureau, Ministry of Justice, 
      Xindian, New Taipei 231209, Taiwan, ROC.
FAU - Liu, Chun-Yi
AU  - Liu CY
AD  - Department of Forensic Science, Investigation Bureau, Ministry of Justice, 
      Xindian, New Taipei 231209, Taiwan, ROC.
FAU - Chyueh, San-Chong
AU  - Chyueh SC
AD  - Department of Forensic Science, Investigation Bureau, Ministry of Justice, 
      Xindian, New Taipei 231209, Taiwan, ROC.
LA  - eng
PT  - Case Reports
DEP - 20221017
PL  - Ireland
TA  - Forensic Sci Int
JT  - Forensic science international
JID - 7902034
RN  - 690G0D6V8H (Ketamine)
SB  - IM
MH  - *Ketamine/analysis
MH  - Chromatography, Liquid
MH  - Gas Chromatography-Mass Spectrometry/methods
MH  - Mass Spectrometry
MH  - Hair/chemistry
MH  - Substance Abuse Detection/methods
OTO - NOTNLM
OT  - Anesthesia
OT  - Drug metabolites
OT  - Fungal model
OT  - Ketamine analog
OT  - New psychoactive substances
COIS- Conflicts of interest The authors declare no competing financial interests.
EDAT- 2022/10/25 06:00
MHDA- 2022/11/30 06:00
CRDT- 2022/10/24 03:06
PHST- 2022/05/24 00:00 [received]
PHST- 2022/10/11 00:00 [revised]
PHST- 2022/10/13 00:00 [accepted]
PHST- 2022/10/25 06:00 [pubmed]
PHST- 2022/11/30 06:00 [medline]
PHST- 2022/10/24 03:06 [entrez]
AID - S0379-0738(22)00331-0 [pii]
AID - 10.1016/j.forsciint.2022.111501 [doi]
PST - ppublish
SO  - Forensic Sci Int. 2022 Dec;341:111501. doi: 10.1016/j.forsciint.2022.111501. Epub 
      2022 Oct 17.