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    Dimethadione

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 5,5-dimethyloxazolidine-2,4-dione, 695-53-4, 5,5-dimethyl-2,4-oxazolidinedione, Dimethadion, Eupractone, Propazone
    Molecular Formula
    C5H7NO3
    Molecular Weight
    129.11  g/mol
    InChI Key
    JYJFNDQBESEHJQ-UHFFFAOYSA-N
    FDA UNII
    ALU9NPM703
    An anticonvulsant that is the active metabolite of TRIMETHADIONE.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5,5-dimethyl-1,3-oxazolidine-2,4-dione
    2.1.2 InChI
    InChI=1S/C5H7NO3/c1-5(2)3(7)6-4(8)9-5/h1-2H3,(H,6,7,8)
    2.1.3 InChI Key
    JYJFNDQBESEHJQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(C(=O)NC(=O)O1)C
    2.2 Other Identifiers
    2.2.1 UNII
    ALU9NPM703
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5,5-dimethyl-2,4-oxazolidinedione

    2. 5,5-dimethyloxazolidine-2,4-dione

    3. Dimethyloxazolidinedione

    2.3.2 Depositor-Supplied Synonyms

    1. 5,5-dimethyloxazolidine-2,4-dione

    2. 695-53-4

    3. 5,5-dimethyl-2,4-oxazolidinedione

    4. Dimethadion

    5. Eupractone

    6. Propazone

    7. Dimethyloxazolidinedione

    8. 5,5-dimethyl-1,3-oxazolidine-2,4-dione

    9. 2,4-oxazolidinedione, 5,5-dimethyl-

    10. Bax 1400z

    11. Ac 1198

    12. Nsc-30152

    13. 5,5-dimethyloxazolidinedione

    14. Nortrimethadione

    15. Dmo

    16. Bay 1400z

    17. 5,5-dwumetylooksazolidyno-2,4-dion

    18. Mfcd00005379

    19. Alu9npm703

    20. Bax-1400z

    21. Bay-1400z

    22. Nsc30152

    23. Ac-1198

    24. Ncgc00016532-02

    25. Cas-695-53-4

    26. Dsstox_cid_478

    27. Dsstox_rid_75614

    28. Dsstox_gsid_20478

    29. Dimetadione [dcit]

    30. Dimetadiona

    31. Dimetadione

    32. Dimethadionum

    33. Dimethadione [usan:inn]

    34. Dimetadiona [inn-spanish]

    35. Dimethadionum [inn-latin]

    36. Nsc 30152

    37. Dimethyl-oxazolidine-2,4-dione

    38. Sr-05000001609

    39. Einecs 211-781-4

    40. Unii-alu9npm703

    41. Brn 0113541

    42. Ai3-18201

    43. 5,5-dwumetylooksazolidyno-2,4-dion [polish]

    44. 5,5-dimethyl-2,4-oxazolidindion

    45. Prestwick_55

    46. 5,4-oxazolidinedione

    47. Spectrum_000801

    48. Trimethadion, M(nor-)

    49. 5,5-dimethyl-2,4-oxazolidindion [iupac]

    50. Prestwick0_000829

    51. Prestwick1_000829

    52. Prestwick2_000829

    53. Prestwick3_000829

    54. Spectrum2_000108

    55. Spectrum3_000398

    56. Spectrum4_000518

    57. Spectrum5_000911

    58. Dimethadione [mi]

    59. Dimethadione (usan/inn)

    60. Dimethadione [inn]

    61. Dimethadione [usan]

    62. Chembl1099

    63. Schembl34862

    64. Bspbio_000757

    65. Bspbio_002215

    66. Kbiogr_001095

    67. Kbioss_001281

    68. Divk1c_000939

    69. Spectrum1500253

    70. Spbio_000096

    71. Spbio_002678

    72. Bpbio1_000833

    73. Dtxsid2020478

    74. Chebi:94613

    75. Hms502o21

    76. Kbio1_000939

    77. Kbio2_001281

    78. Kbio2_003849

    79. Kbio2_006417

    80. Kbio3_001435

    81. Ninds_000939

    82. Wln: T5ovmv Ehj E1 E1

    83. Hms1570f19

    84. Hms1920g22

    85. Hms2091o10

    86. Hms2097f19

    87. Hms3714f19

    88. Pharmakon1600-01500253

    89. Hy-b1348

    90. Zinc5762010

    91. Tox21_110479

    92. Tox21_200496

    93. Ccg-38926

    94. Nsc756741

    95. 5, 5-dimethyloxazolidine-2,4-dione

    96. 5,5-dimethyl-oxazolidine-2,4-dione

    97. Akos015906843

    98. Tox21_110479_1

    99. Nsc-756741

    100. Idi1_000939

    101. 2,4-oxazolidinedione, 5, 5-dimethyl-

    102. Ncgc00016532-01

    103. Ncgc00016532-03

    104. Ncgc00016532-04

    105. Ncgc00016532-07

    106. Ncgc00094656-01

    107. Ncgc00094656-02

    108. Ncgc00258050-01

    109. As-14715

    110. Sy048286

    111. Sbi-0051352.p003

    112. Db-055297

    113. A9197

    114. Ab00051972

    115. Cs-0013093

    116. D0003

    117. Ft-0619784

    118. Ft-0646768

    119. 5,5-dimethyl-1,3-oxazolidine-2,4-dione #

    120. 95d534

    121. D-5490

    122. D03838

    123. H10857

    124. Ab00051972_04

    125. Sr-05000001609-1

    126. Sr-05000001609-2

    127. Brd-k43687498-001-02-3

    128. Q27166437

    129. F2173-0915

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 129.11 g/mol
    Molecular Formula C5H7NO3
    XLogP30.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass129.042593085 g/mol
    Monoisotopic Mass129.042593085 g/mol
    Topological Polar Surface Area55.4 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity173
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anticonvulsants

    Drugs used to prevent SEIZURES or reduce their severity. (See all compounds classified as Anticonvulsants.)

    4.2 Metabolism/Metabolites

    Dimethadione is a known human metabolite of trimethadione.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560