isosorbide mononitrate   Click here for help

GtoPdb Ligand ID: 7052

Synonyms: AHR-4698 | BM-22-145 | Imdur® | IS-5-MN | ISMN | Monosorb®
Approved drug
isosorbide mononitrate is an approved drug (FDA (1991))
Compound class: Synthetic organic
Comment: Isosorbide mononitrate is termed a nitrate drug and acts as a vasodilator. It is similar to nitroglycerin, but is slower to act.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 91.06
Molecular weight 191.04
XLogP -0.91
No. Lipinski's rules broken 0
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Canonical SMILES [O-][N+](=O)OC1COC2C1OCC2O
Isomeric SMILES [O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O
InChI InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1
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Molecular structure representations generated using Open Babel