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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:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
ChEBI Ontology
Outgoing Relation(s)
edaravone (CHEBI:31530) has role antioxidant (CHEBI:22586)
edaravone (CHEBI:31530) has role radical scavenger (CHEBI:48578)
edaravone (CHEBI:31530) is a pyrazolone (CHEBI:83328)
IUPAC Name 
5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Synonyms  Source
EdaravoneKEGG COMPOUND
phenyl methyl pyrazoloneChemIDplus
1-phenyl-3-methyl-5-oxo-2-pyrazolineChemIDplus
2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-oneNIST Chemistry WebBook
phenylmethylpyrazoloneChemIDplus
methylphenylpyrazoloneChemIDplus
Brand Name  Source
RadicutKEGG DRUG
Manual XrefsDatabases
C13008KEGG COMPOUND
D01552KEGG DRUG
LSM-5486LINCS
HMDB0006240HMDB
4156DrugCentral
Registry NumbersSources
Gmelin:241147Gmelin
Beilstein:609575Beilstein
CAS:89-25-8KEGG COMPOUND
CAS:89-25-8NIST Chemistry WebBook
CAS:89-25-8ChemIDplus
Citations