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Chemical structure of PB-22 3-carboxyindole metabolite

GC18833

PB-22 3-carboxyindole metabolite

Also known as 1-pentylindole-3-carboxylic acid

PB-22 is an analog of the potent synthetic cannabinoid, JWH 018 , which differs by having 8-hydroxyquinoline replacing the naphthalene group of JWH 018

ChemicalCAS727421-73-0MW231.3FormulaC14H17NO2
CAS number
727421-73-0
Molecular weight
231.3
Formula
C14H17NO2
Solubility
DMF: 30 mg/ml,DMSO: 30 mg/ml,DMSO:PBS(pH7·2) (1:1): 0·5 mg/ml,Ethanol: 10 mg/ml
InChIKey
HAPJUNILBCTRIJ-UHFFFAOYSA-N
Catalogue number
GC18833
Brand
GLPBIO
Computed properties PubChem CID 17381723 · XLogP 3.3 · TPSA 42.2 Ų · H-bond donors 1
XLogP
3.3
TPSA
42.2 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
17

SMILES CCCCCN1C=C(C2=CC=CC=C21)C(=O)O

Computed descriptors from PubChem (CID 17381723), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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