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CHEBI:6061 - isosorbide dinitrate

ChEBI IDCHEBI:6061
ChEBI Nameisosorbide dinitrate
Stars
Last Modified22 February 2017
DownloadsMolfile
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.
Application:
vasodilator agent  A drug used to cause dilation of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
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)
IUPAC Name 
1,4:3,6-dianhydro-2,5-di-O-nitro-D-glucitol
INNs  Source
isosorbide dinitrateChemIDplus
dinitrate d'isosorbideChemIDplus
dinitrato de isosorbidaChemIDplus
isosorbidi dinitrasChemIDplus
Synonyms  Source
Isosorbide dinitrateKEGG COMPOUND
Sorbide nitrateDrugBank
SorbidnitrateDrugBank
D-Isosorbide dinitrateChemIDplus
Dianhydrosorbitol 2,5-dinitrateChemIDplus
Isosorbide 2,5-dinitrateChemIDplus
Brand Names  Source
Cedocard RetardDrugBank
CarvasinDrugBank
FlindixDrugBank
IsoketDrugBank
IsorbidDrugBank
IsordilDrugBank
Manual XrefsDatabases
C07456KEGG COMPOUND
DB00883DrugBank
D00516KEGG DRUG
1505DrugCentral
Registry NumbersSources
Beilstein:88225Beilstein
CAS:87-33-2ChemIDplus