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

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ChEBI Name 4-butyl-4-(hydroxymethyl)-1,2-diphenylpyrazolidine-3,5-dione
ChEBI ID CHEBI:190650
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H22N2O3
Net Charge 0
Average Mass 338.407
Monoisotopic Mass 338.16304
InChI InChI=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
InChIKey VCUPPSLLQJDTJC-UHFFFAOYSA-N
SMILES OCC1(CCCC)C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in liver (BTO:0000759). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
147034 ChemSpider
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Registry Number Type Source
23111-33-3 CAS Registry Number ChemIDplus