Agomelatine 3D structure

Agomelatine (also called Thymanax, Valdoxan) has the formula C15H17NO2 and a molar mass of 243.30 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.

Formula
C15H17NO2
Molar mass
243.30 g/mol
PubChem CID
82148
Heavy atoms
18
Category
Common drugs

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC nameN-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC
PubChem CID82148
Other namesThymanax, Valdoxan, Agomelatina, agomelatinum, AWY

How to read the 3D model

Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.

3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.

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