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

GC42508

5-fluoro AB-PINACA N-(4-hydroxypentyl) metabolite

Also known as N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(5-fluoro-4-hydroxypentyl)indazole-3-carboxamide

5-fluoro AB-PINACA is a derivative of AB-PINACA, a synthetic cannabinoid recently identified in illegal herbal products

ChemicalCAS2460433-23-0MW364.4FormulaC18H25FN4O3
CAS number
2460433-23-0
Molecular weight
364.4
Formula
C18H25FN4O3
Solubility
10mg/mL in ethanol, 12mg/mL in DMSO, or in DMF
InChIKey
IEYDKWLGOBQFKU-UHFFFAOYSA-N
Catalogue number
GC42508
Brand
GLPBIO
Computed properties PubChem CID 118964467 · XLogP 1.9 · TPSA 110 Ų · H-bond donors 3
XLogP
1.9
TPSA
110 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
26

SMILES CC(C)C(C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CCCC(CF)O

Computed descriptors from PubChem (CID 118964467), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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