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Chemical structure of AB-PINACA N-(4-fluoropentyl) isomer

GC42680

AB-PINACA N-(4-fluoropentyl) isomer

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

AB-PINACA is a synthetic cannabinoid recently identified in illegal herbal products

ChemicalCAS2748160-98-5MW348.4FormulaC18H25FN4O2
CAS number
2748160-98-5
Molecular weight
348.4
Formula
C18H25FN4O2
Solubility
DMF： 10 mg/ml,DMSO： 10 mg/ml,DMSO：PBS (pH 7·2)(1：8)： 0·1 mg/ml,Ethanol： 10 mg/ml
InChIKey
KSBISSAWUAIQIT-UHFFFAOYSA-N
Catalogue number
GC42680
Brand
GLPBIO
Computed properties PubChem CID 122403262 · XLogP 2.9 · TPSA 90 Ų · H-bond donors 2
XLogP
2.9
TPSA
90 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
25

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

Computed descriptors from PubChem (CID 122403262), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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