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
SMILES / InChI / InChIKey
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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
InChI Key YWXYYJSYQOXTPL-SLPGGIOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1991))
IUPAC Name Click here for help
[(3R,3aS,6S,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl] nitrate
International Nonproprietary Names Click here for help
INN number INN
5177 isosorbide mononitrate
Synonyms Click here for help
AHR-4698 | BM-22-145 | Imdur® | IS-5-MN | ISMN | Monosorb®
Database Links Click here for help
CAS Registry No. 16051-77-7
ChEMBL Ligand CHEMBL1311
DrugBank Ligand DB01020
DrugCentral Ligand 1506
GtoPdb PubChem SID 178103631
PubChem CID 27661
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Wikipedia Isosorbide mononitrate