isosorbide dinitrate (CHEBI:6061)

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ChEBI Name	isosorbide dinitrate

ChEBI ID	CHEBI:6061

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C6H8N2O8

Net Charge

Average Mass

236.13640

Monoisotopic Mass

236.02807

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

InChIKey

MOYKHGMNXAOIAT-JGWLITMVSA-N

SMILES

[H][C@]12OC[C@H](O[N+]([O-])=O)[C@@]1([H])OC[C@H]2O[N+]([O-])=O

Roles Classification
Chemical Role(s):	nitric oxide donor An agent, with unique chemical structure and biochemical requirements, which generates nitric oxide.

Application(s):	vasodilator agent A drug used to cause dilation of the blood vessels.

ChEBI Ontology
Outgoing	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

Synonyms	Sources
1,4:3,6-Dianhydrosorbitol 2,5-dinitrate	ChemIDplus
D-Isosorbide dinitrate	ChemIDplus
Dianhydrosorbitol 2,5-dinitrate	ChemIDplus
Dinitroisosorbide	ChemIDplus
Dinitrosorbide	ChemIDplus
Isosorbide 2,5-dinitrate	ChemIDplus
Isosorbide dinitrate	KEGG COMPOUND
Sorbide nitrate	DrugBank
Sorbidnitrate	DrugBank

Last Modified

22 February 2017