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Chemical structure of JWH 018 N-propanoic acid metabolite

GC43949

JWH 018 N-propanoic acid metabolite

Also known as 3-[3-(naphthalene-1-carbonyl)indol-1-yl]propanoic acid

JWH 018 is a mildly selective agonist of peripheral cannabinoid (CB2) receptor, derived from the aminoalkylindole WIN 55,212-2

ChemicalCAS1451369-32-6MW343.4FormulaC22H17NO3
CAS number
1451369-32-6
Molecular weight
343.4
Formula
C22H17NO3
Solubility
DMF: 10 mg/ml,DMSO: 10 mg/ml,Ethanol: 10 mg/ml,Methanol: 30 mg/ml
InChIKey
VCRZMEAJRGIGCT-UHFFFAOYSA-N
Catalogue number
GC43949
Brand
GLPBIO
Computed properties PubChem CID 124518754 · XLogP 4 · TPSA 59.3 Ų · H-bond donors 1
XLogP
4
TPSA
59.3 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
26

SMILES C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CN(C4=CC=CC=C43)CCC(=O)O

Computed descriptors from PubChem (CID 124518754), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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