isosorbide dinitrate

Ligand id: 7051

Name: isosorbide dinitrate

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 123.2
Molecular weight 236.03
XLogP 0.04
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (no history prior to 1968))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name
[(3S,3aS,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl] nitrate
International Nonproprietary Names
INN number INN
996 isosorbide dinitrate
Synonyms
Dilatrate-Sr® | ISDN | Isordil®
Comments
Isosorbide dinitrate acts as a vasodilator. It is similar to nitroglycerin, but is slower to act.
Database Links
CAS Registry No. 87-33-2 (source: Scifinder)
ChEMBL Ligand CHEMBL6622
DrugBank Ligand DB00883
GtoPdb PubChem SID 178103630
PubChem CID 6883
Search Google for chemical match using the InChIKey MOYKHGMNXAOIAT-JGWLITMVSA-N
Search Google for chemicals with the same backbone MOYKHGMNXAOIAT
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Search UniChem for chemical match using the InChIKey MOYKHGMNXAOIAT-JGWLITMVSA-N
Search UniChem for chemicals with the same backbone MOYKHGMNXAOIAT
Wikipedia Isosorbide_dinitrate