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Chemical structure of BB-22 4-hydroxyisoquinoline isomer

GC42901

BB-22 4-hydroxyisoquinoline isomer

Also known as isoquinolin-4-yl 1-(cyclohexylmethyl)indole-3-carboxylate

BB-22 is an analog of the potent synthetic cannabinoid JWH 018 that is structurally similar to PB-22 and its derivative, 5-fluoro PB-22

ChemicalCAS2365471-21-0MW384.5FormulaC25H24N2O2
CAS number
2365471-21-0
Molecular weight
384.5
Formula
C25H24N2O2
Solubility
DMF： 14 mg/ml,DMF：PBS(pH7·2) (1：2)： 0·3 mg/ml,DMSO： 10 mg/ml,Ethanol： 1 mg/ml
InChIKey
RTMDZYWZLPOXLY-UHFFFAOYSA-N
Catalogue number
GC42901
Brand
GLPBIO
Computed properties PubChem CID 124518751 · XLogP 5.9 · TPSA 44.1 Ų · H-bond donors 0
XLogP
5.9
TPSA
44.1 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
29

SMILES C1CCC(CC1)CN2C=C(C3=CC=CC=C32)C(=O)OC4=CN=CC5=CC=CC=C54

Computed descriptors from PubChem (CID 124518751), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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