CHEBI:6061 - isosorbide dinitrate

ChEBI IDCHEBI:6061
ChEBI Nameisosorbide dinitrate
Stars
Last Modified22 February 2017
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FormulaC6H8N2O8
Net Charge0
Average Mass236.136
Monoisotopic Mass236.02807
SMILES[H][C@]12OC[C@@H](O[N+](=O)[O-])[C@@]1([H])OC[C@@H]2O[N+](=O)[O-]
InChIInChI=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
InChIKeyMOYKHGMNXAOIAT-JGWLITMVSA-N
Roles Classification
Chemical Role:
nitric oxide donor  An agent, with unique chemical structure and biochemical requirements, which generates nitric oxide.
Applications:
vasodilator agent  A drug used to cause dilation of the blood vessels.
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
ChEBI Ontology
Outgoing Relation(s)
isosorbide dinitrate (CHEBI:6061) has role cardiovascular drug (CHEBI:35554)
isosorbide dinitrate (CHEBI:6061) has role nitric oxide donor (CHEBI:50566)
isosorbide dinitrate (CHEBI:6061) has role vasodilator agent (CHEBI:35620)
isosorbide dinitrate (CHEBI:6061) is a glucitol derivative (CHEBI:63433)
isosorbide dinitrate (CHEBI:6061) is a nitrate ester (CHEBI:51080)
isosorbide dinitrate (CHEBI:6061) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
1,4:3,6-dianhydro-2,5-di-O-nitro-D-glucitol
INNs  Source
dinitrate d'isosorbideChemIDplus
dinitrato de isosorbidaChemIDplus
isosorbide dinitrateChemIDplus
isosorbidi dinitrasChemIDplus
Synonyms  Source
1,4:3,6-Dianhydrosorbitol 2,5-dinitrateChemIDplus
C01DA08ChEMBL
Dianhydrosorbitol 2,5-dinitrateChemIDplus
Diluted isosorbide dinitrateChEMBL
Diluted-isosorbide dinitrateChEMBL
Diluted isosorbide dinitrate rsChEMBL
Brand Names  Source
AngitakChEMBL
CarvasinDrugBank
CedocardChEMBL
Cedocard-10ChEMBL
Cedocard-20ChEMBL
Cedocard-40ChEMBL
Manual XrefsDatabases
1505DrugCentral
C07456KEGG COMPOUND
D00516KEGG DRUG
DB00883DrugBank
Registry NumbersSources
Beilstein:88225Beilstein
CAS:87-33-2ChemIDplus
Citations