Mrv0541 11141311202D          

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M  END
> <ID>
CHEBI:76259

> <NAME>
oxyphenbutazone hydrate

> <DEFINITION>
A 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 Commonly used to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome.

> <STAR>
3

> <SYNONYM>
oxyphenbutazone monohydrate; Oxyphenbutazone; 4-Butyl-1-(p-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione monohydrate; 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione hydrate

> <IUPAC_NAME>
4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione--water (1/1)

> <BRAND_NAME>
Tandearil

> <FORMULA>
C19H22N2O4

> <MASS>
342.38900

> <MONOISOTOPIC_MASS>
342.15796

> <CHARGE>
0

> <SMILES>
O.CCCCC1C(=O)N(N(C1=O)c1ccc(O)cc1)c1ccccc1

> <INCHI>
InChI=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

> <INCHIKEY>
CNDQSXOVEQXJOE-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
7081-38-1

> <REAXYS_REGISTRY_NUMBER>
5786228

> <CHEMIDPLUS>
7081-38-1

> <KEGG_DRUG_ACCESSION>
D05319

> <WIKIPEDIA_ACCESSION>
Oxyphenbutazone

$$$$