CHEBI:76122 - bumadizone calcium hemihydrate

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ChEBI Name bumadizone calcium hemihydrate
ChEBI ID CHEBI:76122
Definition A hydrate that is the hemihydrate form of bumadizone calcium. Used for treatment of rheumatoid arthritis.
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Formula C76H86Ca2N8O13
Net Charge 0
Average Mass 1399.69800
Monoisotopic Mass 1398.55662
InChI InChI=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
InChIKey JQQZVABVKIDEFR-UHFFFAOYSA-J
SMILES O.[Ca++].[Ca++].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.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.
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ChEBI Ontology
Outgoing 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 Sources
bumadizone calcium salt hemihydrate KEGG DRUG
bumadizone calcium salt semihydrate ChEBI
bumadizone calcium semihydrate ChEBI
Butylmalonic acid mono(1,2-diphenylhydrazide) calcium salt hemihydrate ChemIDplus
N-(2-Carboxycaproyl)hydrazobenzene calcium salt hemihydrate ChemIDplus
Manual Xrefs Databases
Bumadizone Wikipedia
D07549 KEGG DRUG
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Registry Numbers Types Sources
6472262 Reaxys Registry Number Reaxys
69365-73-7 CAS Registry Number ChemIDplus
69365-73-7 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
22222555 PubMed citation Europe PMC
6894380 PubMed citation Europe PMC
Last Modified
31 March 2014