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Chemical structure of 3-Hydroxy agomelatine

GC60499

3-Hydroxy agomelatine

Also known as N-[2-(3-hydroxy-7-methoxynaphthalen-1-yl)ethyl]acetamide

3-Hydroxy agomelatine is a metabolite of Agomelatine

ChemicalCAS166526-99-4MW259.3FormulaC15H17NO3
CAS number
166526-99-4
Molecular weight
259.3
Formula
C15H17NO3
InChIKey
VUBBOOVHTBZRTJ-UHFFFAOYSA-N
Catalogue number
GC60499
Brand
GLPBIO
Computed properties PubChem CID 10400344 · XLogP 2.4 · TPSA 58.6 Ų · H-bond donors 2
XLogP
2.4
TPSA
58.6 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
19

SMILES CC(=O)NCCC1=C2C=C(C=CC2=CC(=C1)O)OC

Computed descriptors from PubChem (CID 10400344), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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