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    Technical details about CAS 15574-49-9, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS-15574-49-9

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 15574-49-9, Ethyl 5-hydroxy-1,2-dimethyl-1h-indole-3-carboxylate, Dimecarbine, Ethyl 5-hydroxy-1,2-dimethylindole-3-carboxylate, Dimecarbin, Ethyl 1,2-dimethyl-5-hydroxyindole-3-carboxylate
    Molecular Formula
    C13H15NO3
    Molecular Weight
    233.26  g/mol
    InChI Key
    YTBNTDMBGXAOCG-UHFFFAOYSA-N
    FDA UNII
    Z927X3UJ2W
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 5-hydroxy-1,2-dimethylindole-3-carboxylate
    2.1.2 InChI
    InChI=1S/C13H15NO3/c1-4-17-13(16)12-8(2)14(3)11-6-5-9(15)7-10(11)12/h5-7,15H,4H2,1-3H3
    2.1.3 InChI Key
    YTBNTDMBGXAOCG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C)C
    2.2 Other Identifiers
    2.2.1 UNII
    Z927X3UJ2W
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Dimecarbine

    2. Dimekarbin

    2.3.2 Depositor-Supplied Synonyms

    1. 15574-49-9

    2. Ethyl 5-hydroxy-1,2-dimethyl-1h-indole-3-carboxylate

    3. Dimecarbine

    4. Ethyl 5-hydroxy-1,2-dimethylindole-3-carboxylate

    5. Dimecarbin

    6. Ethyl 1,2-dimethyl-5-hydroxyindole-3-carboxylate

    7. Mecarbinate [inn]

    8. Mecarbine

    9. 1h-indole-3-carboxylic Acid, 5-hydroxy-1,2-dimethyl-, Ethyl Ester

    10. Ethyl 1,2-dimethyl-5-hydroxyindole-2-carboxylate

    11. Mfcd00451373

    12. 5-hydroxy-1,2-dimethyl-1h-indole-3-carboxylic Acid Ethyl Ester

    13. Z927x3uj2w

    14. Dimecarbin;dimecarbine;dimekarbin

    15. Ncgc00160670-01

    16. Dimekarbin

    17. Dsstox_cid_26289

    18. Dsstox_rid_81515

    19. Dsstox_gsid_46289

    20. Mecarbinato

    21. Mecarbinatum

    22. Mecarbinatum [inn-latin]

    23. Mecarbinato [inn-spanish]

    24. Smr001530137

    25. Cas-15574-49-9

    26. Ba 2676

    27. Brn 0193275

    28. Unii-z927x3uj2w

    29. 1,2-dimethyl-5-hydroxyindole-2-carboxylate Ethyl

    30. 5-hydroxy-1,2-dimethylindol-3-carbonsaeureethylester

    31. 1,2-dimethyl-3-carbethoxy- 5-hydroxyindole

    32. Ec-000.1448

    33. Oprea1_078760

    34. Oprea1_434116

    35. Cbdive_000227

    36. 1,2-dimethyl-5-hydroxyindole-3-carboxylate Ethyl

    37. 4-22-00-02229 (beilstein Handbook Reference)

    38. Ethyl 5-hydroxy-1,2-dimethyl-indole-3-carboxylate

    39. Mls004754495

    40. Mls006011807

    41. F0265-0602

    42. Schembl2109102

    43. Zinc1652

    44. Chembl1881106

    45. Dtxsid9046289

    46. Amy8970

    47. Hms1608h05

    48. Hms3655f17

    49. Act06257

    50. Albb-016100

    51. Bcp26910

    52. Hy-b0376

    53. Tox21_111974

    54. Bbl018879

    55. S2074

    56. Stk140169

    57. Akos000271193

    58. Tox21_111974_1

    59. Ac-1621

    60. Ccg-104192

    61. Rs-0114

    62. Ncgc00160670-03

    63. Ncgc00160670-04

    64. Sy016493

    65. Db-010834

    66. Bb 0216474

    67. Ft-0637248

    68. M2407

    69. Sw219644-1

    70. En300-15240

    71. Ab01566886_01

    72. 574e499

    73. Ae-641/02016046

    74. J-521681

    75. Brd-k28405228-001-01-8

    76. Q27295159

    77. Ethyl 5-hydroxy-1,2-dimethyl-1h-indole-3-carboxylate #

    78. F1920-0014

    79. 5-hydroxy-1,2-dimethylindole-3-carboxylic Acid Ethyl Ester

    80. Methyl 3-ethyl-5-hydroxy-1-methyl-1h-indole-2-carboxylate

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 233.26 g/mol
    Molecular Formula C13H15NO3
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass233.10519334 g/mol
    Monoisotopic Mass233.10519334 g/mol
    Topological Polar Surface Area51.5 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity294
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1