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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:
vasodilator agent  A drug used to cause dilation of the blood vessels.
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
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 cardiovascular drug (CHEBI:35554)
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
CAS276ChEMBL
N-carboxy-3-morpholinosydnone imine ethyl esterChEBI
N-(ethoxycarbonyl)-3-morpholinosydnone imineChEBI
Brand Names  Source
CorratonChEBI
CorunoChEBI
CorvasalChEMBL
CorvatonChemIDplus
Corvaton miteChEMBL
Corvaton retChEMBL
Manual XrefsDatabases
1831DrugCentral
4090ChemSpider
D01320KEGG DRUG
DB09282DrugBank
HMDB0245703HMDB
MolsidomineWikipedia
Registry NumbersSources
Reaxys:3999414Reaxys
CAS:25717-80-0ChemIDplus
Citations