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Chemical structure of JWH 081 N-(4-hydroxypentyl) metabolite

GC41045

JWH 081 N-(4-hydroxypentyl) metabolite

Also known as [1-(4-hydroxypentyl)indol-3-yl]-(4-methoxynaphthalen-1-yl)methanone

JWH 081 is a cannabimimetic indole related to JWH 015 and JWH 018 that shows preference for the central cannabinoid (CB1) receptor (Ki = 1·2 nM) over the peripheral cannabinoid (CB2) receptor (Ki = 12·4 nM)

ChemicalCAS2748622-62-8MW387.5FormulaC25H25NO3
CAS number
2748622-62-8
Molecular weight
387.5
Formula
C25H25NO3
Solubility
DMF： 16 mg/ml,DMF：PBS (pH 7·2) (1：5)： 0·15 mg/ml,DMSO： 12·5 mg/ml,Ethanol： 10 mg/ml
InChIKey
BMDREMSYCUDCJJ-UHFFFAOYSA-N
Catalogue number
GC41045
Brand
GLPBIO
Computed properties PubChem CID 132988810 · XLogP 5 · TPSA 51.5 Ų · H-bond donors 1
XLogP
5
TPSA
51.5 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
29

SMILES CC(CCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)OC)O

Computed descriptors from PubChem (CID 132988810), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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