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Chemical structure of 5-fluoro AKB48 N-(4-hydroxypentyl) metabolite

GC19011

5-fluoro AKB48 N-(4-hydroxypentyl) metabolite

Also known as N-(1-adamantyl)-1-(5-fluoro-4-hydroxypentyl)indazole-3-carboxamide

AKB48 is a pentyl indazole with structural similarity to JWH 018 adamantyl carboxamide and STS-135 , which are synthetic cannabinoids (CBs) with potential to be sold for recreational abuse

ChemicalCAS1843184-42-8MW399.5FormulaC23H30FN3O2
CAS number
1843184-42-8
Molecular weight
399.5
Formula
C23H30FN3O2
Solubility
DMF: 30 mg/ml,DMSO: 5 mg/ml,Ethanol: 30 mg/ml,Ethanol:PBS (pH 7·2)(1:2): 0·3 mg/ml
InChIKey
BOGHQNVNYXAOJR-UHFFFAOYSA-N
Catalogue number
GC19011
Brand
GLPBIO
Computed properties PubChem CID 137699766 · XLogP 4.2 · TPSA 67.2 Ų · H-bond donors 2
XLogP
4.2
TPSA
67.2 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
29

SMILES C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C5=CC=CC=C54)CCCC(CF)O

Computed descriptors from PubChem (CID 137699766), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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