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Chemical structure of XLR11 6-hydroxyindole metabolite

GC45166

XLR11 6-hydroxyindole metabolite

Also known as [1-(5-fluoropentyl)-6-hydroxyindol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

XLR11 is a synthetic cannabinoid (CB) featuring a tetramethylcyclopropyl group, which reportedly confers selectivity for the peripheral CB2 receptor over the central CB1 receptor

ChemicalCAS1630022-98-8MW345.5FormulaC21H28FNO2
CAS number
1630022-98-8
Molecular weight
345.5
Formula
C21H28FNO2
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,Ethanol： 30 mg/ml,Ethanol：PBS (pH 7·2) (1：4)： 0·2 mg/ml
InChIKey
OZGNIKIHSWKZFS-UHFFFAOYSA-N
Catalogue number
GC45166
Brand
GLPBIO
Computed properties PubChem CID 124519293 · XLogP 4.8 · TPSA 42.2 Ų · H-bond donors 1
XLogP
4.8
TPSA
42.2 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
25

SMILES CC1(C(C1(C)C)C(=O)C2=CN(C3=C2C=CC(=C3)O)CCCCCF)C

Computed descriptors from PubChem (CID 124519293), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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