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CHEBI:190650 - 4-butyl-4-(hydroxymethyl)-1,2-diphenylpyrazolidine-3,5-dione

ChEBI IDCHEBI:190650
ChEBI Name4-butyl-4-(hydroxymethyl)-1,2-diphenylpyrazolidine-3,5-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22N2O3
Net Charge0
Average Mass338.407
Monoisotopic Mass338.16304
SMILESCCCCC1(CO)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C20H22N2O3/c1-2-3-14-20(15-23)18(24)21(16-10-6-4-7-11-16)22(19(20)25)17-12-8-5-9-13-17/h4-13,23H,2-3,14-15H2,1H3
InChIKeyVCUPPSLLQJDTJC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) liver (BTO:0000759) MetaboLights (MTBLS4163)
ChEBI Ontology
Outgoing Relation(s)
4-butyl-4-(hydroxymethyl)-1,2-diphenylpyrazolidine-3,5-dione (CHEBI:190650) is a benzenes (CHEBI:22712)
IUPAC Name 
4-butyl-4-(hydroxymethyl)-1,2-diphenylpyrazolidine-3,5-dione
Manual XrefsDatabases
147034ChemSpider
Registry NumbersSources
CAS:23111-33-3ChemIDplus