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    Chemistry

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    Also known as: Methyl 4-acetamido-2-ethoxybenzoate, 59-06-3, Benzoic acid, 4-(acetylamino)-2-ethoxy-, methyl ester, Ethyl pabate, Methyl 4-(acetylamino)-2-ethoxybenzoate, Mfcd00075809
    Molecular Formula
    C12H15NO4
    Molecular Weight
    237.25  g/mol
    InChI Key
    GOVWOKSKFSBNGD-UHFFFAOYSA-N
    FDA UNII
    F4X3L6068O
    Ethopabate
    An inhibitor of folate metabolism. It is used as a coccidiostat in poultry.
    1 2D Structure

    Ethopabate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 4-acetamido-2-ethoxybenzoate
    2.1.2 InChI
    InChI=1S/C12H15NO4/c1-4-17-11-7-9(13-8(2)14)5-6-10(11)12(15)16-3/h5-7H,4H2,1-3H3,(H,13,14)
    2.1.3 InChI Key
    GOVWOKSKFSBNGD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    F4X3L6068O
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Methyl 4-acetamido-2-ethoxybenzoate

    2. 59-06-3

    3. Benzoic Acid, 4-(acetylamino)-2-ethoxy-, Methyl Ester

    4. Ethyl Pabate

    5. Methyl 4-(acetylamino)-2-ethoxybenzoate

    6. Mfcd00075809

    7. Ethopabat

    8. F4x3l6068o

    9. Ncgc00160624-01

    10. Ethopabate 100 Microg/ml In Acetonitrile

    11. Dsstox_cid_26264

    12. Dsstox_rid_81491

    13. Dsstox_gsid_46264

    14. Cas-59-06-3

    15. Ethopabate [usp:ban]

    16. Amprol Plus (veterinary)

    17. Einecs 200-414-3

    18. Unii-f4x3l6068o

    19. 4-acetamido-2-ethoxybenzoesaeuremethylester

    20. Methyl4-acetamido-2-ethoxybenzoate

    21. Ethopabate (usp)

    22. Methyl 2-ethoxy-4-acetamidobenzoate

    23. Ethopabate [mi]

    24. Ethopabate [mart.]

    25. Ethopabate [usp-rs]

    26. Schembl540932

    27. Chembl458769

    28. Zinc1387

    29. Ethopabate [green Book]

    30. Dtxsid6046264

    31. Chebi:183844

    32. Ethopabate [usp Monograph]

    33. Amy13532

    34. Hy-b2138

    35. Tox21 111943

    36. Tox21_111943

    37. S3707

    38. Methyl 4-acetamido-2-ethoxy-benzoate

    39. Akos015892662

    40. Ethopabate 100 Microg/ml In Methanol

    41. Tox21_111943_1

    42. Ccg-213430

    43. Cs-8028

    44. Ncgc00160624-02

    45. Ncgc00160624-03

    46. Ncgc00160624-04

    47. As-11898

    48. Sy226309

    49. Db-053312

    50. Ft-0625739

    51. 4-acetylamino-2-ethoxybenzoic Acid Methyl Ester

    52. D08916

    53. Ethopabate, Vetranal(tm), Analytical Standard

    54. Ab01563313_01

    55. 075e809

    56. 4-acetylamino-2-ethoxy-benzoic Acid, Methyl Ester

    57. Sr-01000944203

    58. Q-201078

    59. Q5404419

    60. Sr-01000944203-1

    61. Ethopabate, British Pharmacopoeia (bp) Reference Standard

    62. Ethopabate, United States Pharmacopeia (usp) Reference Standard

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 237.25 g/mol
    Molecular Formula C12H15NO4
    XLogP31.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass237.10010796 g/mol
    Monoisotopic Mass237.10010796 g/mol
    Topological Polar Surface Area64.6 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity280
    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

    Coccidiostats

    Agents useful in the treatment or prevention of COCCIDIOSIS in man or animals. (See all compounds classified as Coccidiostats.)

    API Reference Price

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    12-Feb-2021
    26-Oct-2024
    KGS
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