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CHEBI:76119 - bumadizone

ChEBI IDCHEBI:76119
ChEBI Namebumadizone
Stars
DefinitionA carbohydrazide obtained by formal condensation of one of the carboxy groups from butylmalonic acid with the hydrazino group of 1,2-diphenylhydrazine. Used (as its calcium semihydrate) for treatment of rheumatoid arthritis.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC19H22N2O3
Net Charge0
Average Mass326.396
Monoisotopic Mass326.16304
SMILESCCCCC(C(=O)O)C(=O)N(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15/h4-13,17,20H,2-3,14H2,1H3,(H,23,24)
InChIKeyFLWFHHFTIRLFPV-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Applications:
antipyretic  A drug that prevents or reduces fever by lowering the body temperature from a raised state. An antipyretic will not affect the normal body temperature if one does not have fever. Antipyretics cause the hypothalamus to override an interleukin-induced increase in temperature. The body will then work to lower the temperature and the result is a reduction in fever.
non-steroidal anti-inflammatory drug  An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.
ChEBI Ontology
Outgoing Relation(s)
bumadizone (CHEBI:76119) has functional parent malonic acid (CHEBI:30794)
bumadizone (CHEBI:76119) has role antipyretic (CHEBI:35493)
bumadizone (CHEBI:76119) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
bumadizone (CHEBI:76119) is a carbohydrazide (CHEBI:35363)
bumadizone (CHEBI:76119) is a monocarboxylic acid (CHEBI:25384)
bumadizone (CHEBI:76119) is conjugate acid of bumadizone(1−) (CHEBI:76124)
Incoming Relation(s)
bumadizone(1−) (CHEBI:76124) is conjugate base of bumadizone (CHEBI:76119)
IUPAC Name 
2-[(1,2-diphenylhydrazino)carbonyl]hexanoic acid
INNs  Source
bumadizoneKEGG DRUG
bumadizonaChemIDplus
bumadizonumChemIDplus
Synonyms  Source
Butylmalonic acid mono(1,2-diphenylhydrazide)ChemIDplus
n-Butylmalonic acid N,N'-diphenylhydrazideChemIDplus
bumazidoneChEBI
BumadizonChemIDplus
Manual XrefsDatabases
D07264KEGG DRUG
US2005249806Patent
WO2006124753Patent
BumadizoneWikipedia
426DrugCentral
Registry NumbersSources
Reaxys:696638Reaxys
CAS:3583-64-0KEGG DRUG
CAS:3583-64-0ChemIDplus
Citations