CHEBI:31530 - edaravone

ChEBI IDCHEBI:31530
ChEBI Nameedaravone
Stars
DefinitionA pyrazolone that is 2,4-dihydro-3H-pyrazol-3-one which is substituted at positions 2 and 5 by phenyl and methyl groups, respectively.
Last Modified22 February 2017
DownloadsMolfile
FormulaC10H10N2O
Net Charge0
Average Mass174.203
Monoisotopic Mass174.07931
SMILESCC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyQELUYTUMUWHWMC-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Applications:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
renoprotective agent  Any compound that is able to prevent damage to the kidneys.
ChEBI Ontology
Outgoing Relation(s)
edaravone (CHEBI:31530) has role antioxidant (CHEBI:22586)
edaravone (CHEBI:31530) has role neuroprotective agent (CHEBI:63726)
edaravone (CHEBI:31530) has role radical scavenger (CHEBI:48578)
edaravone (CHEBI:31530) has role renoprotective agent (CHEBI:231911)
edaravone (CHEBI:31530) is a pyrazolone (CHEBI:83328)
IUPAC Name 
5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
INN  Source
edaravonaWHO MedNet
Synonyms  Source
1-phenyl-3-methyl-5-oxo-2-pyrazolineChemIDplus
2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-oneNIST Chemistry WebBook
3-methyl-1-phenyl-2-pyrazolin-5-oneChemIDplus
3-methyl-1-phenyl-5-pyrazoloneChemIDplus
3-methyl-1-phenylpyrazol-5-oneNIST Chemistry WebBook
Antipyrine related compound aChEMBL
Brand Names  Source
RadicavaChEMBL
Radicava orsChEMBL
RadicutKEGG DRUG
Manual XrefsDatabases
4156DrugCentral
C13008KEGG COMPOUND
D01552KEGG DRUG
HMDB0006240HMDB
LSM-5486LINCS
Registry NumbersSources
Gmelin:241147Gmelin
Beilstein:609575Beilstein
CAS:89-25-8KEGG COMPOUND
CAS:89-25-8NIST Chemistry WebBook
CAS:89-25-8ChemIDplus
Citations