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    DSSTox_CID_3239

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    DSSTox_CID_3239
    Also known as: Mebutamat, Mebutina, 64-55-1, Butatensin, Carbuten, Ipotensivo
    Molecular Formula
    C10H20N2O4
    Molecular Weight
    232.28  g/mol
    InChI Key
    LEROTMJVBFSIMP-UHFFFAOYSA-N
    FDA UNII
    5H8F175RER
    Mebutamate is a sedative and anxiolytic drug with anti-hypertensive (blood pressure lowering) effects comparable to those of other barbiturates but is only around 1/3rd the potency of secobarbital as a sedative. Side effects include dizziness and headaches.
    1 2D Structure

    DSSTox_CID_3239

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate
    2.1.2 InChI
    InChI=1S/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)
    2.1.3 InChI Key
    LEROTMJVBFSIMP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(C)C(C)(COC(=O)N)COC(=O)N
    2.2 Other Identifiers
    2.2.1 UNII
    5H8F175RER
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Mebutamat

    2. Mebutina

    3. 64-55-1

    4. Butatensin

    5. Carbuten

    6. Ipotensivo

    7. Mioartrina

    8. Preminex

    9. Sigmafon

    10. Axiten

    11. Dormate

    12. Encapla

    13. Vallene

    14. Capla

    15. Dicamoylmethtane

    16. Prean

    17. No-press

    18. Dicamoylmethane

    19. 2,2-dicarbamyloxymethyl-3-methylpentane

    20. 2-methyl-2-(1-methylpropyl)-1,3-propanediol Dicarbamate

    21. 2-sec-butyl-2-methyl-1,3-propanediol Dicarbamate

    22. 2-sec-butyl-2-methyltrimethylene Dicarbamate

    23. W-583

    24. 2-methyl-2-sec-butyl-1,3-propanediol Dicarbamate

    25. W 583

    26. Nsc 163921

    27. 1,3-propanediol, 2-methyl-2-(1-methylpropyl)-, Dicarbamate

    28. [2-(carbamoyloxymethyl)-2,3-dimethylpentyl] Carbamate

    29. Carbamic Acid, 2-sec-butyl-2-methyltrimethylene Ester

    30. Nsc-163921

    31. 5h8f175rer

    32. 2-[(carbamoyloxy)methyl]-2,3-dimethylpentyl Carbamate

    33. 1,3-propanediol, 2-sec-butyl-2-methyl-, Dicarbamate

    34. 2-sec-butyl-2-methylpropane-1,3-diyl Dicarbamate

    35. Mebutamato

    36. Mebutamatum

    37. Mebutamatum [inn-latin]

    38. Mebutamato [inn-spanish]

    39. Mebutamate [usan:inn:ban:jan]

    40. Einecs 200-587-5

    41. Brn 1788226

    42. Unii-5h8f175rer

    43. Dea No. 2800

    44. Dormate (tn)

    45. Capla (tn)

    46. Caplaril (salt/mix)

    47. Mebutamate [mi]

    48. Mebutamate [inn]

    49. Mebutamate [jan]

    50. Mebutamate (jan/usan)

    51. Mebutamate [usan]

    52. Dsstox_cid_3239

    53. Mebutamate [mart.]

    54. Dsstox_rid_97548

    55. Mebutamate [who-dd]

    56. (+/-)-mebutamate

    57. Dsstox_gsid_23239

    58. Schembl122289

    59. Chembl1200922

    60. Dtxsid1023239

    61. Mebutamate [orange Book]

    62. Chebi:31804

    63. Lerotmjvbfsimp-uhfffaoysa-

    64. Mebutamate, (+/-)-

    65. Wln: Zvo1x1&1ovzy2&1

    66. Tox21_113666

    67. Mfcd00025464

    68. Nsc163921

    69. Akos027379922

    70. Db06797

    71. Cas-64-55-1

    72. 1, 2-sec-butyl-2-methyl-, Dicarbamate

    73. Ncgc00249890-01

    74. Db-054688

    75. Ft-0631284

    76. M1018

    77. D01807

    78. 1, 2-methyl-2-(1-methylpropyl)-, Dicarbamate

    79. Sr-01000944487

    80. Q6804368

    81. Sr-01000944487-1

    82. Z1550648766

    83. 1,3-propanediol, 2-methyl-2-(1-methylpropyl)-, 1,3-dicarbamate

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 232.28 g/mol
    Molecular Formula C10H20N2O4
    XLogP31.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count8
    Exact Mass232.14230712 g/mol
    Monoisotopic Mass232.14230712 g/mol
    Topological Polar Surface Area105 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity237
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    N - Nervous system

    N05 - Psycholeptics

    N05B - Anxiolytics

    N05BC - Carbamates

    N05BC04 - Mebutamate

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