CHEBI:76123 - bumadizone calcium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name bumadizone calcium
ChEBI ID CHEBI:76123
Definition An organic calcium salt having 2-[(1,2-diphenylhydrazino)carbonyl]hexanoate as the counterion. Used (as its hemihydrate) for treatment of rheumatoid arthritis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C38H42CaN4O6
Net Charge 0
Average Mass 690.84100
Monoisotopic Mass 690.27303
InChI InChI=1S/2C19H22N2O3.Ca/c2*1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15;/h2*4-13,17,20H,2-3,14H2,1H3,(H,23,24);/q;;+2/p-2
InChIKey RKINNRASCJRSHD-UHFFFAOYSA-L
SMILES [Ca++].CCCCC(C([O-])=O)C(=O)N(Nc1ccccc1)c1ccccc1.CCCCC(C([O-])=O)C(=O)N(Nc1ccccc1)c1ccccc1
Roles Classification
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing bumadizone calcium (CHEBI:76123) has part bumadizone(1−) (CHEBI:76124)
bumadizone calcium (CHEBI:76123) has role antipyretic (CHEBI:35493)
bumadizone calcium (CHEBI:76123) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
bumadizone calcium (CHEBI:76123) is a organic calcium salt (CHEBI:51031)
Incoming bumadizone calcium hemihydrate (CHEBI:76122) has part bumadizone calcium (CHEBI:76123)
IUPAC Name
calcium bis{2-[(1,2-diphenylhydrazino)carbonyl]hexanoate}
Synonyms Sources
anhydrous bumadizone calcium ChEBI
bumadizone calcium salt ChEBI
Butylmalonic acid mono(1,2-diphenylhydrazide) calcium ChemIDplus
Calcium-N-n-butylmalonic acid N,N'-diphenylhydrazide ChemIDplus
Manual Xref Database
Bumadizone Wikipedia
View more database links
Registry Number Type Source
34461-73-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
208174 PubMed citation Europe PMC
331502 PubMed citation Europe PMC
335681 PubMed citation Europe PMC
4209902 PubMed citation Europe PMC
4801213 PubMed citation Europe PMC
Last Modified
29 October 2013