CHEBI:76259 - oxyphenbutazone hydrate

ChEBI IDCHEBI:76259
ChEBI Nameoxyphenbutazone hydrate
Stars
DefinitionA hydrate obtained by combining oxyphenbutazone with one molar equivalent of water. Commonly used to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome.
Last Modified24 October 2014
SubmitterSteve
DownloadsMolfile
FormulaC19H20N2O3.H2O
Net Charge0
Average Mass342.395
Monoisotopic Mass342.15796
SMILESCCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O.O
InChIInChI=1S/C19H20N2O3.H2O/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15;/h4-8,10-13,17,22H,2-3,9H2,1H3;1H2
InChIKeyCNDQSXOVEQXJOE-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
non-narcotic analgesic  A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
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.
gout suppressant  A drug that increases uric acid excretion by the kidney (uricosuric drug), decreases uric acid production (antihyperuricemic), or alleviates the pain and inflammation of acute attacks of gout.
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-narcotic analgesic  A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
ChEBI Ontology
Outgoing Relation(s)
oxyphenbutazone hydrate (CHEBI:76259) has part oxyphenbutazone (CHEBI:76258)
oxyphenbutazone hydrate (CHEBI:76259) has role antimicrobial agent (CHEBI:33281)
oxyphenbutazone hydrate (CHEBI:76259) has role antineoplastic agent (CHEBI:35610)
oxyphenbutazone hydrate (CHEBI:76259) has role antipyretic (CHEBI:35493)
oxyphenbutazone hydrate (CHEBI:76259) has role gout suppressant (CHEBI:35845)
oxyphenbutazone hydrate (CHEBI:76259) has role non-narcotic analgesic (CHEBI:35481)
oxyphenbutazone hydrate (CHEBI:76259) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
oxyphenbutazone hydrate (CHEBI:76259) is a hydrate (CHEBI:35505)
IUPAC Name 
4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione—water (1/1)
Synonyms  Source
4-Butyl-1-(p-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione monohydrateChemIDplus
OxyphenbutazoneChemIDplus
4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione hydrateChEBI
oxyphenbutazone monohydrateChEBI
Brand Name  Source
TandearilKEGG COMPOUND
Manual XrefsDatabases
D05319KEGG DRUG
OxyphenbutazoneWikipedia
Registry NumbersSources
Reaxys:5786228Reaxys
CAS:7081-38-1ChemIDplus
CAS:7081-38-1KEGG DRUG