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Chemical structure of PB-22 N-pentanoic acid metabolite

GC40873

PB-22 N-pentanoic acid metabolite

Also known as 5-(3-quinolin-8-yloxycarbonylindol-1-yl)pentanoic acid

PB-22 is a synthetic cannabinoid which is structurally analogous to the potent aminoalkylindoles, like JWH 018

ChemicalCAS2071638-22-5MW388.4FormulaC23H20N2O4
CAS number
2071638-22-5
Molecular weight
388.4
Formula
C23H20N2O4
Solubility
DMF： 10 mg/ml,DMF：PBS(pH7·2) (1：2)： 0·33 mg/ml,DMSO： 10 mg/ml
InChIKey
OHXYIFOJAQVPRU-UHFFFAOYSA-N
Catalogue number
GC40873
Brand
GLPBIO
Computed properties PubChem CID 124518740 · XLogP 3.8 · TPSA 81.4 Ų · H-bond donors 1
XLogP
3.8
TPSA
81.4 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
29

SMILES C1=CC=C2C(=C1)C(=CN2CCCCC(=O)O)C(=O)OC3=CC=CC4=C3N=CC=C4

Computed descriptors from PubChem (CID 124518740), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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