isosorbide dinitrate   Click here for help

GtoPdb Ligand ID: 7051

Synonyms: Dilatrate-Sr® | ISDN | Isordil®
Approved drug
isosorbide dinitrate is an approved drug (FDA (no history prior to 1968))
Compound class: Synthetic organic
Comment: Isosorbide dinitrate 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 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
SMILES / InChI / InChIKey
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Canonical SMILES [O-][N+](=O)OC1COC2C1OCC2O[N+](=O)[O-]
Isomeric SMILES [O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-]
InChI InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1
InChI Key MOYKHGMNXAOIAT-JGWLITMVSA-N
Classification Click here for help
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 Click here for help
[(3S,3aS,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl] nitrate
International Nonproprietary Names Click here for help
INN number INN
996 isosorbide dinitrate
Synonyms Click here for help
Dilatrate-Sr® | ISDN | Isordil®
Database Links Click here for help
CAS Registry No. 87-33-2 (source: Scifinder)
ChEMBL Ligand CHEMBL6622
DrugBank Ligand DB00883
DrugCentral Ligand 1505
GtoPdb PubChem SID 178103630
PubChem CID 6883
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Wikipedia Isosorbide_dinitrate