isosorbide mononitrate

Ligand id: 7052

Name: isosorbide mononitrate

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
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

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1991))
IUPAC Name
[(3R,3aS,6S,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl] nitrate
International Nonproprietary Names
INN number INN
5177 isosorbide mononitrate
Synonyms
AHR-4698 | BM-22-145 | Imdur® | IS-5-MN | ISMN | Monosorb®
Database Links
CAS Registry No. 16051-77-7
ChEMBL Ligand CHEMBL1311
DrugBank Ligand DB01020
PubChem CID 27661
Search Google for chemical match using the InChIKey YWXYYJSYQOXTPL-SLPGGIOYSA-N
Search Google for chemicals with the same backbone YWXYYJSYQOXTPL
Search PubMed clinical trials isosorbide mononitrate
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Search UniChem for chemical match using the InChIKey YWXYYJSYQOXTPL-SLPGGIOYSA-N
Search UniChem for chemicals with the same backbone YWXYYJSYQOXTPL
Wikipedia Isosorbide mononitrate
Comments
Isosorbide mononitrate is termed a nitrate drug and acts as a vasodilator. It is similar to nitroglycerin, but is slower to act.