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Chemical structure of JWH 081 N-pentanoic acid metabolite

GC40886

JWH 081 N-pentanoic acid metabolite

Also known as 5-[3-(4-methoxynaphthalene-1-carbonyl)indol-1-yl]pentanoic acid

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)

ChemicalCAS1537889-08-9MW401.5FormulaC25H23NO4
CAS number
1537889-08-9
Molecular weight
401.5
Formula
C25H23NO4
Solubility
DMF: 50 mg/ml,DMSO: 20 mg/ml,Ethanol: 0·5 mg/ml
InChIKey
WPMGCTPEKHVDAS-UHFFFAOYSA-N
Catalogue number
GC40886
Brand
GLPBIO
Computed properties PubChem CID 124519303 · XLogP 4.7 · TPSA 68.5 Ų · H-bond donors 1
XLogP
4.7
TPSA
68.5 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
30

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

Computed descriptors from PubChem (CID 124519303), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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