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    50-86-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 50-86-2, 4-acetamido-2-hydroxybenzoic acid, 4-(acetylamino)-2-hydroxybenzoic acid, P-acetamidosalicylic acid, N-acetyl-p-aminosalicylic acid, Benzoic acid, 4-(acetylamino)-2-hydroxy-
    Molecular Formula
    C9H9NO4
    Molecular Weight
    195.17  g/mol
    InChI Key
    YBTVSGCNBZPRBD-UHFFFAOYSA-N
    FDA UNII
    I7C1010RKE
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-acetamido-2-hydroxybenzoic acid
    2.1.2 InChI
    InChI=1S/C9H9NO4/c1-5(11)10-6-2-3-7(9(13)14)8(12)4-6/h2-4,12H,1H3,(H,10,11)(H,13,14)
    2.1.3 InChI Key
    YBTVSGCNBZPRBD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)NC1=CC(=C(C=C1)C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    I7C1010RKE
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 50-86-2

    2. 4-acetamido-2-hydroxybenzoic Acid

    3. 4-(acetylamino)-2-hydroxybenzoic Acid

    4. P-acetamidosalicylic Acid

    5. N-acetyl-p-aminosalicylic Acid

    6. Benzoic Acid, 4-(acetylamino)-2-hydroxy-

    7. N-acetyl-4-aminosalicyclic Acid

    8. 4-azetaminosalizylsaeure

    9. N-acetyl-pas

    10. Acide 4-acetaminosalicylique

    11. N-acetyl-4-aminosalicylic Acid

    12. 4-acetaminosalicylic Acid

    13. Salicylic Acid, 4-acetamido-

    14. 4-azetaminosalizylsaeure [german]

    15. Einecs 200-069-9

    16. Nsc 54182

    17. Ws 176

    18. Acide 4-acetaminosalicylique [french]

    19. Benzoic Acid, 4-acetamido-2-hydroxy-

    20. Brn 0395899

    21. Unii-i7c1010rke

    22. I7c1010rke

    23. Nsc-54182

    24. 4-14-00-02020 (beilstein Handbook Reference)

    25. 4-(acetylamino)salicylic Acid

    26. Metoclopramide Impurity H

    27. 4-acetamido Salicylic Acid

    28. 4-(acetylamino)-2-hydroxybenzoic Acid; Metoclopramide Imp. H (ep); Metoclopramide Hydrochloride Monohydrate Impurity H; Metoclopramide Impurity H; Metoclopramide Impurity H

    29. 4-acetamido-2-hydroxy-benzoic Acid

    30. Ss-acetylaminosalicylsaure

    31. Oprea1_809805

    32. Schembl729994

    33. P-acetamino Salicylic Methylate

    34. 4-acetamido-2-hydroxybenzoicacid

    35. Chebi:63816

    36. Dtxsid90198167

    37. 4-actyamino-2-hydroxobenzoic Acid

    38. 2-hydroxy-4-acetamidobenzoic Acid

    39. Bcp33941

    40. Nsc54182

    41. 4-acetylamino-2-hydroxybenzoic Acid

    42. Bbl002562

    43. Mfcd00020259

    44. Stk390182

    45. Akos000104756

    46. Ab01267

    47. 2-hydroxy-4-acetylaminobenzoicacid

    48. Vs-01115

    49. Metoclopramide Hcl Imp. H (ep): 4-(ac

    50. Ls-144206

    51. Cs-0009320

    52. Ft-0661153

    53. En300-130293

    54. Metoclopramide Impurity H [ep Impurity]

    55. A899733

    56. Q27132821

    57. 4-acetamidosalicylic Acid;4-acetamido-2-hydroxybenzoic Acid;p-acetamidosalicylic Acid

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 195.17 g/mol
    Molecular Formula C9H9NO4
    XLogP31.6
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area86.6
    Heavy Atom Count14
    Formal Charge0
    Complexity241
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1