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Diclazuril
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

Diclazuril

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.)


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