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CHEBI:59044 - N6-(3,5-dioxo-1,2-diphenylpyrazolidin-4-ylacetyl)-6-aminohexylammonium chloride

ChEBI IDCHEBI:59044
ChEBI NameN6-(3,5-dioxo-1,2-diphenylpyrazolidin-4-ylacetyl)-6-aminohexylammonium chloride
Stars
ASCII NameN(6)-(3,5-dioxo-1,2-diphenylpyrazolidin-4-ylacetyl)-6-aminohexylammonium chloride
DefinitionThe organoammonium salt formed from equimolar amounts of N6-(3,5-dioxo-1,2-diphenylpyrazolidin-4-ylacetyl)-6-aminohexanoic acid (Butaz) and hydrogen chloride.
Last Modified13 February 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC23H29N4O3.Cl
Net Charge0
Average Mass444.963
Monoisotopic Mass444.19282
SMILES[Cl-].[NH3+]CCCCCCNC(=O)CC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C23H28N4O3.ClH/c24-15-9-1-2-10-16-25-21(28)17-20-22(29)26(18-11-5-3-6-12-18)27(23(20)30)19-13-7-4-8-14-19;/h3-8,11-14,20H,1-2,9-10,15-17,24H2,(H,25,28);1H
InChIKeyJAVYOBVULWDEPJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N6-(3,5-dioxo-1,2-diphenylpyrazolidin-4-ylacetyl)-6-aminohexylammonium chloride (CHEBI:59044) is a organoammonium salt (CHEBI:46850)
N6-(3,5-dioxo-1,2-diphenylpyrazolidin-4-ylacetyl)-6-aminohexylammonium chloride (CHEBI:59044) is a pyrazolidines (CHEBI:38312)
IUPAC Name 
6-[(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)acetamido]hexan-1-aminium chloride
Synonym  Source
Butaz-NH3+Cl−ChEBI
Citations