molsidomine (CHEBI:31861)

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ChEBI Name	molsidomine

ChEBI ID	CHEBI:31861

Definition	A member of the class of oxadiazoles that is 1,2,3-oxadiazole substituted by morpholin-4-yl and (ethoxycarbonyl)azanidyl groups at positions 3 and 5, respectively. It is used as a vasodilator drug for the treatment of myocardial ischemic syndrome and congestive heart failure.

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

Supplier Information

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Formula

C9H14N4O4

Net Charge

Average Mass

242.235

Monoisotopic Mass

242.10150

InChI

InChI=1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3

InChIKey

XLFWDASMENKTKL-UHFFFAOYSA-N

SMILES

CCOC(=O)[N-]C1=C[N+](=NO1)N1CCOCC1

Roles Classification
Chemical Role(s):	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. nitric oxide donor An agent, with unique chemical structure and biochemical requirements, which generates nitric oxide.

Biological Role(s):	apoptosis inhibitor Any substance that inhibits the process of apoptosis (programmed cell death) in multi-celled organisms.

Application(s):	vasodilator agent A drug used to cause dilation of the blood vessels. cardioprotective agent Any protective agent that is able to prevent damage to the heart.

ChEBI Ontology
Outgoing	molsidomine (CHEBI:31861) has role antioxidant (CHEBI:22586) molsidomine (CHEBI:31861) has role apoptosis inhibitor (CHEBI:68494) molsidomine (CHEBI:31861) has role cardioprotective agent (CHEBI:77307) molsidomine (CHEBI:31861) has role nitric oxide donor (CHEBI:50566) molsidomine (CHEBI:31861) has role vasodilator agent (CHEBI:35620) molsidomine (CHEBI:31861) is a ethyl ester (CHEBI:23990) molsidomine (CHEBI:31861) is a morpholines (CHEBI:38785) molsidomine (CHEBI:31861) is a oxadiazole (CHEBI:46685) molsidomine (CHEBI:31861) is a zwitterion (CHEBI:27369)

IUPAC Name

N-(ethoxycarbonyl)-3-(morpholin-4-yl)-1,2,3-oxadiazol-3-ium-5-aminide

Synonyms	Sources
5-[(ethoxycarbonyl)amino]-3-(4-morpholinyl)-1,2,3-oxadiazolium inner salt	ChEBI
CAS 276	ChemIDplus
CAS-276	DrugBank
molsidomin	DrugCentral
N-(ethoxycarbonyl)-3-morpholinosydnone imine	ChEBI
N-carboxy-3-morpholinosydnone imine ethyl ester	ChEBI
N-ethoxycarbonyl-3-morpholinosydnonimine	ChemIDplus
SIN-10	ChemIDplus

Last Modified

13 October 2021