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Name

XLR-12

IUPAC name

(2,2,3,3-Tetramethylcyclopropyl)[1-(4,4,4-trifluorobutyl)-1H-indol-3-yl]methanone

ID 2628 · Formula C₂₀H₂₄F₃NO · Molecular weight 351.406

Tags Cannabinoid

InChI InChI=1S/C20H24F3NO/c1-18(2)17(19(18,3)4)16(25)14-12-24(11-7-10-20(21,22)23)15-9-6-5-8-13(14)15/h5-6,8-9,12,17H,7,10-11H2,1-4H3

InChI Key PEXYKZYTXIEEOB-UHFFFAOYSA-N This stereoisomer Any stereoisomer

SMILES O=C(C1C(C1(C)C)(C)C)c1cn(c2c1cccc2)CCCC(F)(F)F

ChemSpider 9734160
PubChem 11559386
Wikidata Q25100276
Wikipedia XLR-12

Uchiyama, N; Shimokawa, Y; Kawamura, M; Kikura-Hanajiri, R; Hakamatsuka, T. Chemical analysis of a benzofuran derivative, 2-(2-ethylaminopropyl)benzofuran (2-EAPB), eight synthetic cannabinoids, five cathinone derivatives, and five other designer drugs newly detected in illegal products Forensic Toxicol., 1 Aug 2014, 32 (2), 266–281. 1.9 MB. https://doi.org/10.1007/s11419-014-0238-5 #4 LC,MS,NMR,UV

Hess, C; Murach, J; Krueger, L; Scharrenbroch, L; Unger, M; Madea, B; Sydow, K. Simultaneous detection of 93 synthetic cannabinoids by liquid chromatography-tandem mass spectrometry and retrospective application to real forensic samples Drug Test. Anal., 1 May 2017, 9 (5), 721-733. 267 kB. https://doi.org/10.1002/dta.2030 #XLR-12 LC,MS

Banister, SD; Connor, M. The chemistry and pharmacology of synthetic cannabinoid receptor agonists as new psychoactive substances: Origins In New Psychoactive Substances: Pharmacology, Clinical, Forensic and Analytical Toxicology; Maurer, HH; Brandt, SD, Eds., Springer, Berlin, Heidelberg, 1 Jan 2018; pp 165-190. 906 kB. https://doi.org/10.1007/164_2018_143 #57

Abbate, V; Schwenk, M; Presley, BC; Uchiyama, N. The ongoing challenge of novel psychoactive drugs of abuse. Part I. Synthetic cannabinoids (IUPAC Technical Report) Pure Appl. Chem., 28 Aug 2018, 90 (8), 1255–1282. 1.0 MB. https://doi.org/10.1515/pac-2017-0605 #5. XLR-12

Floresta, G; Apirakkan, O; Rescifina, A; Abbate, V. Discovery of high-affinity cannabinoid receptors ligands through a 3D-QSAR ushered by scaffold-hopping analysis Molecules, 30 Aug 2018, 23 (9), 2183. 4.1 MB. https://doi.org/10.3390/molecules23092183 #XLR-12

7 Dec 2019 · · Isomer Design