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Chemical structure of Agomelatin-d3

GC71510

Agomelatin-d3

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

Agomelatin-d3 is the deuterium labeled Agomelatine

ChemicalCAS1079389-38-0MW246.32FormulaC15H14D3NO2
CAS number
1079389-38-0
Molecular weight
246.32
Formula
C15H14D3NO2
Solubility
DMSO : ≥ 100 mg/mL (405·98 mM)
InChIKey
YJYPHIXNFHFHND-FIBGUPNXSA-N
Catalogue number
GC71510
Brand
GLPBIO
Computed properties PubChem CID 25174581 · 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 [2H]C([2H])([2H])C(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC

Computed descriptors from PubChem (CID 25174581), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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