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Chemical structure of AM694 N-pentanoic acid metabolite

GC42775

AM694 N-pentanoic acid metabolite

Also known as 5-[3-(2-iodobenzoyl)indol-1-yl]pentanoic acid

AM694 is a potent synthetic cannabinoid (CB) with Ki values of 0·08 and 1·44 nM for the central CB1 and peripheral CB2 receptors, respectively

ChemicalCAS1432900-96-3MW447.3FormulaC20H18INO3
CAS number
1432900-96-3
Molecular weight
447.3
Formula
C20H18INO3
Solubility
10mg/mL in ethanol or in DMF, 14mg/mL in DMSO
InChIKey
YRJDOAITNOJOHV-UHFFFAOYSA-N
Catalogue number
GC42775
Brand
GLPBIO
Computed properties PubChem CID 124519275 · XLogP 4.1 · TPSA 59.3 Ų · H-bond donors 1
XLogP
4.1
TPSA
59.3 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
25

SMILES C1=CC=C2C(=C1)C(=CN2CCCCC(=O)O)C(=O)C3=CC=CC=C3I

Computed descriptors from PubChem (CID 124519275), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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