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Chemical structure of JWH 081 N-(5-hydroxypentyl) metabolite

GC18713

JWH 081 N-(5-hydroxypentyl) metabolite

Also known as [1-(5-hydroxypentyl)indol-3-yl]-(4-methoxynaphthalen-1-yl)methanone

Cannabimimetic indoles, including certain JWH-compounds, have been identified in herbal blends

ChemicalCAS1427325-66-3MW387.5FormulaC25H25NO3
CAS number
1427325-66-3
Molecular weight
387.5
Formula
C25H25NO3
Solubility
DMF： 15 mg/ml,DMF：PBS (pH 7·2) (1：5)： 0·1 mg/ml,DMSO： 10 mg/ml,Ethanol： 10 mg/ml
InChIKey
MCDCEPNRUDLEJP-UHFFFAOYSA-N
Catalogue number
GC18713
Brand
GLPBIO
Computed properties PubChem CID 91729706 · XLogP 4.9 · TPSA 51.5 Ų · H-bond donors 1
XLogP
4.9
TPSA
51.5 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
29

SMILES COC1=CC=C(C2=CC=CC=C21)C(=O)C3=CN(C4=CC=CC=C43)CCCCCO

Computed descriptors from PubChem (CID 91729706), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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