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CHEBI:31861 - molsidomine

Default Structure
ChEBI IDCHEBI:31861
ChEBI Namemolsidomine
Stars
DefinitionA 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.
Last Modified13 October 2021
DownloadsMolfile
FormulaC9H14N4O4
Net Charge0
Average Mass242.235
Monoisotopic Mass242.10150
SMILESCCOC(=O)[N-]c1c[n+](N2CCOCC2)no1
InChIInChI=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
InChIKeyXLFWDASMENKTKL-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
nitric oxide donor  An agent, with unique chemical structure and biochemical requirements, which generates nitric oxide.
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role:
apoptosis inhibitor  Any substance that inhibits the process of apoptosis (programmed cell death) in multi-celled organisms.
Applications:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
vasodilator agent  A drug used to cause dilation of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
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
INNs  Source
molsidominaWHO MedNet
molsidomineWHO MedNet
molsidomineWHO MedNet
molsidominumWHO MedNet
Synonyms  Source
5-[(ethoxycarbonyl)amino]-3-(4-morpholinyl)-1,2,3-oxadiazolium inner saltChEBI
CAS 276ChemIDplus
CAS-276DrugBank
N-carboxy-3-morpholinosydnone imine ethyl esterChEBI
N-(ethoxycarbonyl)-3-morpholinosydnone imineChEBI
N-ethoxycarbonyl-3-morpholinosydnonimineChemIDplus
Brand Names  Source
CorratonChEBI
CorunoChEBI
CorvatonChemIDplus
CovarsalChemIDplus
MolsiCareChEBI
MolsicorChEBI
Manual XrefsDatabases
1831DrugCentral
4090ChemSpider
D01320KEGG DRUG
DB09282DrugBank
HMDB0245703HMDB
MolsidomineWikipedia
Registry NumbersSources
Reaxys:3999414Reaxys
CAS:25717-80-0ChemIDplus
Citations