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    Diclazuril

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    2D Structure
    Also known as: 101831-37-2, Clinacox, Vecoxan, Nuoqiu, 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile, 2-(4-chlorophenyl)-2-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3h)-yl)phenyl)acetonitrile
    Molecular Formula
    C17H9Cl3N4O2
    Molecular Weight
    407.6  g/mol
    InChI Key
    ZSZFUDFOPOMEET-UHFFFAOYSA-N
    FDA UNII
    K110K1B1VE
    Diclazuril is a coccidiostat.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile
    2.1.2 InChI
    InChI=1S/C17H9Cl3N4O2/c18-10-3-1-9(2-4-10)12(7-21)16-13(19)5-11(6-14(16)20)24-17(26)23-15(25)8-22-24/h1-6,8,12H,(H,23,25,26)
    2.1.3 InChI Key
    ZSZFUDFOPOMEET-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    K110K1B1VE
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2,6-dichloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3h)-yl)benzeneacetonitrile

    2. Clinacox

    3. R 64433

    4. R-64433

    2.3.2 Depositor-Supplied Synonyms

    1. 101831-37-2

    2. Clinacox

    3. Vecoxan

    4. Nuoqiu

    5. 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile

    6. 2-(4-chlorophenyl)-2-(2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3h)-yl)phenyl)acetonitrile

    7. R-64433

    8. R64,433

    9. Nsc-759642

    10. Diclazuril For Veterinary Use

    11. K110k1b1ve

    12. Ncgc00168785-01

    13. P-64433

    14. (p-chlorophenyl)(2,6-dichloro-4-(4,5-dihydro-3,5-dioxo-as-triazin-2(3h)-yl)phenyl)acetonitrile

    15. R-64-433

    16. Diclazurilo

    17. Diclazurilum

    18. 2,6-dichloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3h)-yl)benzeneacetonitrile

    19. 2,6-dichloro-alpha-(4-chlorophenyl)-4-[4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3h)-yl]benzeneacetonitrile

    20. Dczl

    21. Diclazurilum [latin]

    22. Diclazurilo [spanish]

    23. Sr-05000001484

    24. Unii-k110k1b1ve

    25. Diclazuril [usan:usp:inn:ban]

    26. Drg-0079

    27. Diclazuril [mi]

    28. Diclazuril (usp/inn)

    29. Diclazuril [inn]

    30. Diclazuril [usan]

    31. Diclazuril [mart.]

    32. Diclazuril [usp-rs]

    33. Dsstox_cid_26787

    34. Dsstox_rid_81905

    35. Dsstox_gsid_46787

    36. Schembl126138

    37. Chembl284733

    38. Diclazuril [green Book]

    39. Dtxsid4046787

    40. Chebi:95118

    41. Diclazuril For System Suitability

    42. Diclazuril [usp Monograph]

    43. Hms2089n18

    44. Hms3655d11

    45. Hms3715d21

    46. Pharmakon1600-01502348

    47. Amy40398

    48. Bcp12257

    49. Hy-b0357

    50. Tox21_112645

    51. Bdbm50088493

    52. Mfcd00867203

    53. Nsc759642

    54. Stl135982

    55. Akos005746928

    56. Ccg-213044

    57. Db11398

    58. Ks-5064

    59. Nsc 759642

    60. Sb18820

    61. Ncgc00168785-02

    62. Ncgc00168785-03

    63. Ac-12108

    64. Ac-32608

    65. Cas-101831-37-2

    66. D5457

    67. Ft-0603078

    68. Sw199606-2

    69. D03794

    70. Diclazuril, Vetranal(tm), Analytical Standard

    71. T70016

    72. Ab01562968_01

    73. Ab01562968_02

    74. 831d372

    75. A800467

    76. Diclazuril For Veterinary Use [ep Monograph]

    77. J-000501

    78. Q5273856

    79. Sr-05000001484-1

    80. Sr-05000001484-2

    81. Diclazuril 100 Microg/ml In Acetonitrile:dimethyl Sulfoxide

    82. Diclazuril, United States Pharmacopeia (usp) Reference Standard

    83. 2-[4-(4-chloro-alpha-cyanobenzyl)-3,5-dichlorophenyl]-1,2,4-triazine-3,5(2h,4h)-dione

    84. Diclazuril For System Suitability, European Pharmacopoeia (ep) Reference Standard

    85. (4-chlorophenyl)[2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3h)-yl)phenyl]acetonitrile

    86. 2,6-dichloro-.alpha.-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3h)-yl)benzeneacetonitrile

    87. 2,6-dichloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3h)-yl)-benzeneacetonitrile

    88. 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile;diclazuril

    89. Benzeneacetonitrile, 2,6-dichloro-.alpha.-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3h)-yl)-

    2.4 Create Date
    2005-08-01
    3 Chemical and Physical Properties
    Molecular Weight 407.6 g/mol
    Molecular Formula C17H9Cl3N4O2
    XLogP34.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass405.979109 g/mol
    Monoisotopic Mass405.979109 g/mol
    Topological Polar Surface Area85.6 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity629
    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 MeSH Pharmacological Classification

    Coccidiostats

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