Diltiazem 3D structure

Diltiazem (also called d-cis-Diltiazem, Dilcontin) has the formula C₂₂H₂₆N₂O₄S and a molar mass of 414.5 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: C₂₂H₂₆N₂O₄S
Molar mass: 414.5 g/mol
PubChem CID: 39186
Heavy atoms: 29
Category: Common drugs

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name	[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
SMILES	`CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC`
PubChem CID	39186
Other names	d-cis-Diltiazem, Dilcontin, Dilticard, Acalix, Anoheal

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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