Molecular Identity
Isosorbide Mononitrate
[(3S,3aR,6R,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
PubChem CID: 27661
Isosorbide mononitrate is a nitrate ester and a glucitol derivative. It has a role as a vasodilator agent and a nitric oxide donor.
2D Structure
Properties
C6H9NO6
Molecular Formula
191.14
Molecular Weight
g/mol
191.0430
Exact Mass
Da
-0.4
XLogP
Drug-like (Lipinski: < 5)
93.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
216
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C2C(O1)C(CO2)O[N+](=O)[O-])OIsomeric SMILES
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])OSynonyms(20)
ISOSORBIDE MONONITRATE16051-77-7Isosorbide 5-mononitrateImdurMonosorbitrateIsosorbide 5-nitrateCoranginMonoketISMNIsosorbide-5-mononitrateISMOMonolongMonoprontMonosordilOrasorbil
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Isosorbide Mononitrate
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