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CHEBI:31861 - molsidomine

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:
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:
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.
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 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
molsidomineWHO MedNet
molsidominumWHO MedNet
molsidominaWHO MedNet
molsidomineWHO MedNet
Synonyms  Source
molsidominDrugCentral
N-ethoxycarbonyl-3-morpholinosydnonimineChemIDplus
N-(ethoxycarbonyl)-3-morpholinosydnone imineChEBI
SIN-10ChemIDplus
CAS-276DrugBank
CAS 276ChemIDplus
Brand Names  Source
MotazominChemIDplus
MorsydomineDrugCentral
CorvatonChemIDplus
CovarsalChemIDplus
MolsidolatChemIDplus
MorialChemIDplus
Manual XrefsDatabases
DB09282DrugBank
D01320KEGG DRUG
1831DrugCentral
HMDB0245703HMDB
MolsidomineWikipedia
4090ChemSpider
Registry NumbersSources
Reaxys:3999414Reaxys
CAS:25717-80-0ChemIDplus
Citations