isosorbide mononitrate (CHEBI:6062)

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ChEBI Name	isosorbide mononitrate

ChEBI ID	CHEBI:6062

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

Supplier Information

Download	Molfile XML SDF

Formula

C6H9NO6

Net Charge

Average Mass

191.13880

Monoisotopic Mass

191.04299

InChI

InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1

InChIKey

YWXYYJSYQOXTPL-SLPGGIOYSA-N

SMILES

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

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 mononitrate (CHEBI:6062) has role nitric oxide donor (CHEBI:50566) isosorbide mononitrate (CHEBI:6062) has role vasodilator agent (CHEBI:35620) isosorbide mononitrate (CHEBI:6062) is a glucitol derivative (CHEBI:63433) isosorbide mononitrate (CHEBI:6062) is a nitrate ester (CHEBI:51080)

IUPAC Name

1,4:3,6-dianhydro-5-O-nitro-D-glucitol

Last Modified

22 February 2017