Mirabegron 3D structure

Mirabegron (also called Myrbetriq, Betanis) has the formula C21H24N4O2S and a molar mass of 396.5 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
C21H24N4O2S
Molar mass
396.5 g/mol
PubChem CID
9865528
Heavy atoms
28
Category
Common drugs

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
SMILESC1=CC=C(C=C1)[C@H](CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O
PubChem CID9865528
Other namesMyrbetriq, Betanis, Betmiga, mirabegronum, Mirabegron CRS

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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