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

GC42682

AB-PINACA N-(5-hydroxypentyl) metabolite

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

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

ChemicalCAS1879029-92-1MW346.4FormulaC18H26N4O3
CAS number
1879029-92-1
Molecular weight
346.4
Formula
C18H26N4O3
Solubility
DMF： 12 mg/ml,DMSO： 12 mg/ml,DMSO：PBS (pH 7·2)(1：8)： 0·11 mg/ml,Ethanol： 10 mg/ml
InChIKey
MGOXVYQZCJIMRX-UHFFFAOYSA-N
Catalogue number
GC42682
Brand
GLPBIO
Computed properties PubChem CID 102334106 · XLogP 1.8 · TPSA 110 Ų · H-bond donors 3
XLogP
1.8
TPSA
110 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
25

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

Computed descriptors from PubChem (CID 102334106), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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