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Chemical structure of Agomelatine

GC17981

Agomelatine

Also known as N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide

Agomelatine is a melatonin (MT) receptor agonist with Ki values of 0·1 nM and 0·12 nM for MT1 and MT2, respectively· Agomelatine is also a 5-hydroxytryptamine (5-HT) receptor antagonist with Ki values of 631 nM and 660 nM for 5-HT2C and 5-HT2B respectively

ChemicalCAS138112-76-2MW243.3FormulaC15H17NO2
CAS number
138112-76-2
Molecular weight
243.3
Formula
C15H17NO2
Solubility
≥ 12·2mg/mL in DMSO
InChIKey
YJYPHIXNFHFHND-UHFFFAOYSA-N
Catalogue number
GC17981
Brand
GLPBIO
Computed properties PubChem CID 82148 · XLogP 2.7 · TPSA 38.3 Ų · H-bond donors 1
XLogP
2.7
TPSA
38.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
18

SMILES CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC

Computed descriptors from PubChem (CID 82148), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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