Oxyphenbutazone monohydrateProduct ingredient for Oxyphenbutazone
- Name
- Oxyphenbutazone monohydrate
- Drug Entry
- Oxyphenbutazone
Oxyphenbutazone was withdrawn from the Canadian market in March 1985 due to concerns regarding bone marrow suppression.
- Accession Number
- DBSALT001825
- Structure
Structure for Oxyphenbutazone monohydrate (DBSALT001825)
- Synonyms
- 4-butyl-1-(p-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione monohydrate
- UNII
- H806S4B3NS
- CAS Number
- 7081-38-1
- Weight
- Average: 342.395
Monoisotopic: 342.157957196 - Chemical Formula
- C19H22N2O4
- InChI Key
- CNDQSXOVEQXJOE-UHFFFAOYSA-N
- 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
- IUPAC Name
- 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione hydrate
- SMILES
- O.CCCCC1C(=O)N(N(C1=O)C1=CC=C(O)C=C1)C1=CC=CC=C1
- External Links
- ChemSpider
- 94610
- ChEBI
- 76259
- ChEMBL
- CHEMBL3989676
- Predicted Properties
Property Value Source Water Solubility 0.256 mg/mL ALOGPS logP 2.79 ALOGPS logP 3.83 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 4.87 Chemaxon pKa (Strongest Basic) -6 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 60.85 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 90.74 m3·mol-1 Chemaxon Polarizability 34.58 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon