Doxepin 3D structure

Doxepin (also called Doxepina, Doxepine) has the formula C19H21NO and a molar mass of 279.4 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
C19H21NO
Molar mass
279.4 g/mol
PubChem CID
3158
Heavy atoms
21
Category
Common drugs

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31
PubChem CID3158
Other namesDoxepina, Doxepine, Sinepin, Doxepinum, Sinquan

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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