Compound: Oxyphenbutazone hydrate
SMILES: O=C1N(N(c2ccccc2)C(C1CCCC)=O)c3ccc(O)cc3.O
InChIKey: CNDQSXOVEQXJOE-UHFFFAOYSA-N
Synonyms: Oxyphenbutazone hydrate, 7081-38-1, oxyphenbutazone monohydrate, 4-Butyl-1-(p-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione monohydrate, 3,5-Pyrazolidinedione, 4-butyl-1-(4-hydroxyphenyl)-2-phenyl-, monohydrate, CHEBI:76259, RefChem:1094101, Oxyphenbutazone (monohydrate), 76576-51-7, 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione hydrate, 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione;hydrate, 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione--water (1/1), UNII-H806S4B3NS, 4-butyl-1-(4-hydroxyphenyl)-2-phenyl-1,2-diazolidine-3,5-dione, hydrate, Oxyphenbutazone [USP:INN:BAN], Tandearil (TN), SCHEMBL25854, OXYPHENBUTAZONE [IARC], OXYPHENBUTAZONE [VANDF], orb1745080, CHEMBL3989676, DTXSID90991079, HY-B1355, OXYPHENBUTAZONE [ORANGE BOOK], SBB058172, AKOS024374977, FO35392, NSC 757261, OXYPHENBUTAZONE MONOHYDRATE [MI], BO300108, DA-76525, (+/-)-OXYPHENBUTAZONE MONOHYDRATE, CS-0013098, OXYPHENBUTAZONE MONOHYDRATE, (+/-)-, ST51015088, Oxyphenbutazone (hydrate) - Bio-X trade mark, D05319, Q27145838, 4-Butyl-1-(4-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione monohydrate, 4-butyl-1-(4-hydroxyphenyl)-2-phenyl-pyrazolidine-3,5-dione;hydrate, 3,5-PYRAZOLIDINEDIONE, 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYL-, HYDRATE (1:1)
Theoretical properties:
molecular_formula: C19H22N2O4
molecular_weight: 342.4 g/mol
exact_mass: 342.15795719 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 5
heavy_atom_count: 25
topological_polar_surface_area: 61.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 2
Physical properties:
Descriptions:
{"pubchem": "Oxyphenbutazone hydrate is 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 Commonly used to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome. It has a role as an antimicrobial agent, a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antipyretic, an antineoplastic agent and a gout suppressant. It contains an oxyphenbutazone.", "chebi": "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 Commonly used to treat pain, swelling and stiffness associated with arthritis and gout, it was withdrawn from the market 1984 following association with blood dyscrasis and Stevens-Johnson syndrome.", "chembl": "OXYPHENBUTAZONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.", "wikipedia": "Selenium is a chemical element; it has symbol Se and atomic number 34. It has various physical appearances, including a brick-red powder, a vitreous black solid, and a grey metallic-looking form. It seldom occurs in this elemental state or as pure ore compounds in Earth's crust. Selenium (from \u03c3\u03b5\u03bb\u03ae\u03bd\u03b7 'moon') was discovered in 1817 by J\u00f6ns Jacob Berzelius, who noted the similarity of the new element to the previously discovered tellurium (named for the Earth).\nSelenium is found in metal sulfide ores, where it substitutes for sulfur. Commercially, selenium is produced as a byproduct in the refining of these ores. Minerals that are pure selenide or selenate compounds are rare. The chief commercial uses for selenium today are glassmaking and pigments. Selenium is a semiconductor and is used in photocells. Applications in electronics, once important, have been mostly replaced with silicon semiconductor devices. Selenium is still used in a few types of DC power surge protectors and one type of fluorescent quantum dot.\nAlthough trace amounts of selenium are necessary for cellular function in many animals, including humans, both elemental selenium and (especially) selenium salts are toxic in even small doses, causing selenosis. Symptoms include (in decreasing order of frequency): diarrhea, fatigue, hair loss, joint pain, nail brittleness or discoloration, nausea, headache, tingling, vomiting, and fever.\nSelenium is listed as an ingredient in many multivitamins and other dietary supplements, as well as in infant formula, and is a component of the antioxidant enzymes glutathione peroxidase and thioredoxin reductase (which indirectly reduce certain oxidized molecules in animals and some plants) as well as in three deiodinase enzymes. Selenium requirements in plants differ by species, with some plants requiring relatively large amounts and others apparently not requiring any.\n\n"}