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CHEBI:76122 - bumadizone calcium hemihydrate

ChEBI IDCHEBI:76122
ChEBI Namebumadizone calcium hemihydrate
Stars
DefinitionA hydrate that is the hemihydrate form of bumadizone calcium. Used for treatment of rheumatoid arthritis.
Last Modified31 March 2014
SubmitterSteve
DownloadsMolfile
Formula4C19H21N2O3.2Ca.H2O
Net Charge0
Average Mass1399.723
Monoisotopic Mass1398.55662
SMILESCCCCC(C(=O)[O-])C(=O)N(Nc1ccccc1)c1ccccc1.CCCCC(C(=O)[O-])C(=O)N(Nc1ccccc1)c1ccccc1.CCCCC(C(=O)[O-])C(=O)N(Nc1ccccc1)c1ccccc1.CCCCC(C(=O)[O-])C(=O)N(Nc1ccccc1)c1ccccc1.O.[Ca+2].[Ca+2]
InChIInChI=1S/4C19H22N2O3.2Ca.H2O/c4*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;;;/h4*4-13,17,20H,2-3,14H2,1H3,(H,23,24);;;1H2/q;;;;2*+2;/p-4
InChIKeyJQQZVABVKIDEFR-UHFFFAOYSA-J
Wikipedia
Roles Classification
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 calcium hemihydrate (CHEBI:76122) has part bumadizone calcium (CHEBI:76123)
bumadizone calcium hemihydrate (CHEBI:76122) has role antipyretic (CHEBI:35493)
bumadizone calcium hemihydrate (CHEBI:76122) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
bumadizone calcium hemihydrate (CHEBI:76122) is a hydrate (CHEBI:35505)
IUPAC Name 
calcium 2-[(1,2-diphenylhydrazino)carbonyl]hexanoate hydrate (2/4/1)
Synonyms  Source
bumadizone calcium salt hemihydrateKEGG DRUG
bumadizone calcium semihydrateChEBI
bumadizone calcium salt semihydrateChEBI
Butylmalonic acid mono(1,2-diphenylhydrazide) calcium salt hemihydrateChemIDplus
N-(2-Carboxycaproyl)hydrazobenzene calcium salt hemihydrateChemIDplus
Manual XrefsDatabases
D07549KEGG DRUG
BumadizoneWikipedia
Registry NumbersSources
Reaxys:6472262Reaxys
CAS:69365-73-7KEGG DRUG
CAS:69365-73-7ChemIDplus
Citations