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Chemistry

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Also known as: 2-methyl-3,5-dinitrobenzamide, 148-01-6, Zoalene, 3,5-dinitro-o-toluamide, Zoamix, Coccidine a

Molecular Formula

C₈H₇N₃O₅

Molecular Weight

225.16 g/mol

InChI Key

ZEFNOZRLAWVAQF-UHFFFAOYSA-N

FDA UNII

AOX68RY4TV

A coccidiostat for poultry.

1 2D Structure

Zoalene

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methyl-3,5-dinitrobenzamide

2.1.2 InChI

InChI=1S/C8H7N3O5/c1-4-6(8(9)12)2-5(10(13)14)3-7(4)11(15)16/h2-3H,1H3,(H2,9,12)

2.1.3 InChI Key

ZEFNOZRLAWVAQF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)N

2.2 Other Identifiers

2.2.1 UNII

AOX68RY4TV

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Coccidot

2. Dinitrotoluamide

3. Methyldinitrobenzamide

4. Zoalene

2.3.2 Depositor-Supplied Synonyms

1. 2-methyl-3,5-dinitrobenzamide

2. 148-01-6

3. Zoalene

4. 3,5-dinitro-o-toluamide

5. Zoamix

6. Coccidine A

7. Coccidot

8. Benzamide, 2-methyl-3,5-dinitro-

9. Dinitolmida

10. Dinitrotoluamide

11. Zoalene [ansi]

12. Methyldinitrobenzamide

13. Dinitolmidum

14. Salcostat

15. Dinitolmide [inn:ban]

16. Dinitro-o-toluamide

17. Zoalele

18. O-toluamide, 3,5-dinitro-

19. Aox68ry4tv

20. Nsc-758213

21. D.o.t.

22. Dinitolmide (inn)

23. Ncgc00094985-01

24. Dinitolmide [inn]

25. Dsstox_cid_22521

26. Dsstox_rid_80047

27. Dsstox_gsid_42521

28. Caswell No. 932

29. 3,5-dinitro Toluamide

30. Dinitolmidum [inn-latin]

31. Dinitolmida [inn-spanish]

32. Cas-148-01-6

33. Hsdb 7192

34. Sr-01000872611

35. Einecs 205-706-4

36. Unii-aox68ry4tv

37. Epa Pesticide Chemical Code 037510

38. Brn 1990738

39. Abilene

40. Coccidine

41. Zamix

42. 3,5-dinitro-2-methylbenzamide

43. Whitsyn T

44. 2-methyl-3,5-dinitro-benzamide

45. Dinitolmide (zoalene)

46. Spectrum_001272

47. Dinitolmide [mi]

48. Dinitolmide, Ban, Inn

49. Spectrum2_000677

50. Spectrum3_001545

51. Spectrum4_000732

52. Spectrum5_001231

53. Dinitolmide [hsdb]

54. Dinitrotoluamide (related)

55. Dinitolmide [mart.]

56. Schembl43712

57. 3,5-dinitro-ortho-toluamide

58. Bspbio_002990

59. Kbiogr_001024

60. Kbioss_001752

61. Zoalene [green Book]

62. 3-09-00-02316 (beilstein Handbook Reference)

63. Mls002695903

64. Divk1c_000214

65. Spectrum1503036

66. Spbio_000773

67. Chembl472565

68. Methyldinitrobenzamide (related)

69. Dtxsid6042521

70. D.o.t. (tn)

71. Hms500k16

72. Kbio1_000214

73. Kbio2_001752

74. Kbio2_004320

75. Kbio2_006888

76. Kbio3_002490

77. 3,5-dinitro-o-toluamide, 98%

78. Chebi:174162

79. Ninds_000214

80. Hms1922a07

81. Hms3089a22

82. Hms3652k20

83. Pharmakon1600-01503036

84. Hy-b1004

85. Zinc2040950

86. Tox21_111374

87. Tox21_301320

88. Bbl003876

89. Ccg-40029

90. Mfcd00072065

91. Nsc758213

92. S4141

93. Stk395739

94. 2-methyl-3,5-dinitrobenzamide, 9ci

95. Akos003282656

96. Tox21_111374_1

97. Cs-4501

98. Db11480

99. Nsc 758213

100. Idi1_000214

101. Ncgc00094985-02

102. Ncgc00094985-03

103. Ncgc00094985-05

104. Ncgc00255914-01

105. Ac-20062

106. Smr001253784

107. Vs-01441

108. Sbi-0051752.p002

109. Db-021326

110. Ft-0614722

111. Sw219233-1

112. D07857

113. E77947

114. Ab00052301_04

115. Dinitolmide, Vetranal(tm), Analytical Standard

116. 148m016

117. 3,5-dinitro-o-toluamide 100 Microg/ml In Methanol

118. Q4024614

119. Sr-01000872611-2

120. Sr-01000872611-3

121. W-108109

122. Brd-k93240442-001-02-7

123. Brd-k93240442-001-04-3

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₈H₇N₃O₅
Molecular Weight	225.16 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	225.03857033 g/mol
Monoisotopic Mass	225.03857033 g/mol
Topological Polar Surface Area	135 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	321
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Therapeutic Uses

(VET): Coccidiostat

O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 575

VET: /Dinitolmide exerts its/ greatest coccidiostatic activity against the asexual stages by arresting parasite development. Efficacy is limited to Eimeria tenell and E. necatrix unless combined with other products.

Aiello, S.E. (ed). The Merck Veterinary Manual. 8th ed. Merck & Co., Inc., National Publishing Inc., Philadelphia, PA. 1998., p. 1893

5 Pharmacology and Biochemistry

5.1 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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