XLR11 Degradant

• CAT Number: R015634
• CAS Number: 1616469-09-0
• Molecular Formula: C21H28FNO
• Molecular Weight: 329.459
• Purity: ≥95%
• Synonyms: XLR11 Impurity; 5-FUR-144 Degradant; 1-(1-(5-Fluoropentyl)-1H-indol-3-yl)-3,3,4-trimethylpent-4-en-1-one
• Storage: -20°C
• IUPAC Name: 1-[1-(5-fluoropentyl)indol-3-yl]-3,3,4-trimethylpent-4-en-1-one
• InChI: InChI=1S/C21H28FNO/c1-16(2)21(3,4)14-20(24)18-15-23(13-9-5-8-12-22)19-11-7-6-10-17(18)19/h6-7,10-11,15H,1,5,8-9,12-14H2,2-4H3
• InChIKey: BEZVSTOQIZTNCK-UHFFFAOYSA-N
• SMILES: CC(=C)C(C)(C)CC(=O)C1=CN(C2=CC=CC=C21)CCCCCF

XLR11 (Item No. 11565) is a synthetic cannabinoid (CB) which contains a tetramethylcyclopropyl group. In many synthetic CBs, this group serves to increase the affinity of the compound for the peripheral CB2 receptor. XLR11 degradant is a common impurity observed during GC-<wbr></wbr>MS analysis of samples containing XLR11. The opened ring of the degradant is presumed to be produced during heating of XLR11. This structure gives rise to a prominent fragment ion that is 15 amu greater than the base peak of XLR11. This pattern is consistent with McLafferty rearrangement of the degradant which does not occur with the parent compound.