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    Chemistry

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    Also known as: 18699-02-0, 2-(4-acetamidophenyl)acetic acid, 4-acetylaminophenylacetic acid, 4-acetamidophenylacetic acid, Benzeneacetic acid, 4-(acetylamino)-, Orcl
    Molecular Formula
    C10H11NO3
    Molecular Weight
    193.20  g/mol
    InChI Key
    MROJXXOCABQVEF-UHFFFAOYSA-N
    FDA UNII
    HW5B6351RZ
    Actarit
    1 2D Structure

    Actarit

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(4-acetamidophenyl)acetic acid
    2.1.2 InChI
    InChI=1S/C10H11NO3/c1-7(12)11-9-4-2-8(3-5-9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
    2.1.3 InChI Key
    MROJXXOCABQVEF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)NC1=CC=C(C=C1)CC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    HW5B6351RZ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-(acetylamino)benzeneacetic Acid

    2. 4-acetylaminophenylacetic Acid

    3. Ms 932

    4. Ms-932

    2.3.2 Depositor-Supplied Synonyms

    1. 18699-02-0

    2. 2-(4-acetamidophenyl)acetic Acid

    3. 4-acetylaminophenylacetic Acid

    4. 4-acetamidophenylacetic Acid

    5. Benzeneacetic Acid, 4-(acetylamino)-

    6. Orcl

    7. [4-(acetylamino)phenyl]acetic Acid

    8. (p-acetamidophenyl)acetic Acid

    9. 4-(acetylamino)benzeneacetic Acid

    10. Mirabegron (m9)

    11. Ms-932

    12. Nsc-170317

    13. Ym-340790

    14. Hw5b6351rz

    15. Mfcd00196165

    16. 4-acetylaminophenylacetic Acid;ms-932

    17. Ncgc00160450-01

    18. Dsstox_cid_20

    19. Mover

    20. Dsstox_rid_75323

    21. Dsstox_gsid_20020

    22. Actarit [inn:jan]

    23. Actaritum

    24. Actaritum [inn-latin]

    25. Smr000466341

    26. Cas-18699-02-0

    27. Ccris 3777

    28. 4-n-acetylaminophenylacetic Acid

    29. Benzeneaceticacid, 4-(acetylamino)-

    30. Einecs 242-511-3

    31. Ms 932

    32. Nsc 170317

    33. Brn 1640927

    34. Unii-hw5b6351rz

    35. Actrarit

    36. Actarit-[d4]

    37. Orcl (tn)

    38. Actarit (jan/inn)

    39. Actarit [inn]

    40. Actarit [jan]

    41. Actarit [mi]

    42. Actarit [mart.]

    43. Actarit [who-dd]

    44. Schembl78305

    45. 2-14-00-00281 (beilstein Handbook Reference)

    46. Mls000759453

    47. Mls000881203

    48. Mls001423954

    49. (4-acetamido-phenyl)acetic Acid

    50. Chembl1885632

    51. Dtxsid0020020

    52. Chebi:31173

    53. (4-acetamino-phenyl)-acetic Acid

    54. Hms2051c06

    55. Hms2235a24

    56. Hms3393c06

    57. Hms3715f18

    58. Acetic Acid, (p-acetamidophenyl)-

    59. Mirabegron M9 (ym-340790)

    60. (4-acetylamino-phenyl)-acetic Acid

    61. Bcp12510

    62. Cs-m1344

    63. Zinc6165883

    64. Tox21_111820

    65. Tox21_301197

    66. Ab6003

    67. Nsc170317

    68. S5039

    69. Akos000104755

    70. Tox21_111820_1

    71. Ac-1285

    72. Ccg-100840

    73. Ks-5131

    74. Nc00090

    75. Ncgc00160450-02

    76. Ncgc00160450-03

    77. Ncgc00255094-01

    78. Am803419

    79. Hy-76938

    80. Db-044623

    81. Ft-0630454

    82. En300-13165

    83. Vu0254342-5

    84. D01395

    85. Ab00172855-09

    86. Ab00172855-11

    87. Ab00172855_13

    88. 699a020

    89. A813101

    90. A935860

    91. J-012024

    92. Q4676759

    93. Z90122510

    94. F9995-0122

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 193.20 g/mol
    Molecular Formula C10H11NO3
    XLogP30.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass193.07389321 g/mol
    Monoisotopic Mass193.07389321 g/mol
    Topological Polar Surface Area66.4 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity219
    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

    Antirheumatic Agents

    Drugs that are used to treat RHEUMATOID ARTHRITIS. (See all compounds classified as Antirheumatic Agents.)

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