Compound: pyrithyldione
SMILES: O=C1NC=CC(C1(CC)CC)=O
InChIKey: NZASCBIBXNPDMH-UHFFFAOYSA-N
Synonyms: pyrithyldione, 77-04-3, Didropyridine, Benedorm, 3,3-Diethyl-2,4(1H,3H)-pyridinedione, Pyrithyldionum, 3,3-diethyl-1,2,3,4-tetrahydropyridine-2,4-dione, Piritildiona, NSC-89733, DTXSID4045262, 8AB20823CK, DTXCID2025262, RefChem:870971, 3,3-diethyl-1,2,3,4-tetrahydro-2,4-pyridinedione, N05CE03, 201-000-5, Persedon, Pyrithyldion, Presidon, Dihydroprylone, Pyridion, Pyridione, Tetridin, Tetridine, 3,3-Diethyl-1H-pyridine-2,4-dione, Persidon, Prezidon, Pyrithyldione [INN], NU 903, 3,3-Diethyl-2,4-pyridinedione, 3,3-Diethylpyridine-2,4(1H,3H)-dione, 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-, NSC 89733, 3,3-Diethyl-2,4-dioxotetrahydropyridine, MLS002154008, MLS002694954, Pyrithyldione (INN), CAS-77-04-3, NCGC00016315-02, Pyrithyldiona, Pyrithyldionum [INN-Latin], Pyrithyldiona [INN-Spanish], SMR001233336, 3,3-diethyl-1,3-dihydropyridine-2,4-dione, SR-01000633270, EINECS 201-000-5, BRN 0131564, 3,3-Diethyl-2,4[1H,3H]pyridinedione, UNII-8AB20823CK, Prestwick_141, Spectrum_001352, Prestwick0_000803, Prestwick1_000803, Prestwick2_000803, Prestwick3_000803, Spectrum2_001520, Spectrum3_001555, Spectrum4_000763, Spectrum5_001018, PYRITHYLDIONE [MI], 3,4-dioxotetrahydropyridine, 3,4(1H,3H)-dione, BSPBio_000665, BSPBio_003030, KBioGR_001146, KBioSS_001832, 5-21-10-00086 (Beilstein Handbook Reference), 3,4(1H,3H)-pyridinedione, DivK1c_000161, DivK1c_000593, PYRITHYLDIONE [MART.], SCHEMBL893677, SPECTRUM1503085, SPBio_001599, SPBio_002586, PYRITHYLDIONE [WHO-DD], BPBio1_000733, orb2814388, CHEMBL1722501, SCHEMBL14842285, SCHEMBL21582013, CHEBI:94590, HMS500I03, HMS501N15, KBio1_000161, KBio1_000593, KBio2_001832, KBio2_004400, KBio2_006968, KBio3_002530, NINDS_000161, NINDS_000593, HMS1570B07, HMS1922E03, HMS2097B07, HMS2230E07, HMS3369G22, HMS3714B07, Pharmakon1600-01503085, AAA07704, HY-B1375, NSC89733, Tox21_110368, BBL023649, CCG-39176, MFCD00006010, NSC758237, SBB057262, STL356010, 2,3H)-Pyridinedione, 3,3-diethyl-, AKOS005267151, Tox21_110368_1, DB13331, NSC-758237, IDI1_000161, IDI1_000593, 2,4-Dioxo-3,3-diethyltetrahydropyridine, NCGC00016315-01, NCGC00016315-03, NCGC00016315-06, NCGC00095001-01, NCGC00095001-02, VS-07475, SBI-0051768.P002, NS00008823, ST50308305, 3,3-DIETHYLTETRAHYDROPYRIDIN-2,4-DIONE, D07329, AB00052313_06, Q408959, SR-01000633270-1, SR-01000633270-3, SR-01000633270-4, BRD-K36116267-001-05-4, BRD-K36116267-001-08-8, BRD-K36116267-001-15-3, InChI=1/C9H13NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h5-6H,3-4H2,1-2H3,(H,10,12
Theoretical properties:
molecular_formula: C9H13NO2
molecular_weight: 167.20 g/mol
exact_mass: 167.094628657 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 12
topological_polar_surface_area: 46.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 3,3-diethyl-1H-pyridine-2,4-dione is a tetrahydropyridine.
chembl: PYRITHYLDIONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Pyrithyldione (Presidon, Persedon) is a psychoactive drug invented in 1949.
An improved method of manufacture was patented by Roche in 1959. It was used as a hypnotic or sedative and presumed to be less toxic than barbiturates. Today, this substance is no longer used. Agranulocytosis was sometimes reported as adverse effect. Pyrithyldione is also a CYP2D6 inducer but is not as potent as glutethimide. In studies, it increased the O-demethylation of codeine by 20%.