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Chemical structure of PB-22 N-(5-hydroxypentyl) metabolite

GC40931

PB-22 N-(5-hydroxypentyl) metabolite

Also known as quinolin-8-yl 1-(5-hydroxypentyl)indole-3-carboxylate

PB-22 N-(5-hydroxypentyl) metabolite is an expected metabolite of PB-22, based on the metabolism of JWH 018

ChemicalCAS1884343-30-9MW374.4FormulaC23H22N2O3
CAS number
1884343-30-9
Molecular weight
374.4
Formula
C23H22N2O3
Solubility
DMF： 11 mg/ml,DMF：PBS(pH7·2) (1：2)： 0·33 mg/ml,DMSO： 10 mg/ml
InChIKey
JEBNZZQRKQILOJ-UHFFFAOYSA-N
Catalogue number
GC40931
Brand
GLPBIO
Computed properties PubChem CID 124518739 · XLogP 4 · TPSA 64.4 Ų · H-bond donors 1
XLogP
4
TPSA
64.4 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
28

SMILES C1=CC=C2C(=C1)C(=CN2CCCCCO)C(=O)OC3=CC=CC4=C3N=CC=C4

Computed descriptors from PubChem (CID 124518739), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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