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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 1,2-dimethyl-5-nitroimidazole, 551-92-8, 1,2-dimethyl-5-nitro-1h-imidazole, Dimetridazol, Emtryl, Emtrylvet

Molecular Formula

C₅H₇N₃O₂

Molecular Weight

141.13 g/mol

InChI Key

IBXPYPUJPLLOIN-UHFFFAOYSA-N

FDA UNII

K59P7XNB8X

1 2D Structure

Dimetridazol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,2-dimethyl-5-nitroimidazole

2.1.2 InChI

InChI=1S/C5H7N3O2/c1-4-6-3-5(7(4)2)8(9)10/h3H,1-2H3

2.1.3 InChI Key

IBXPYPUJPLLOIN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NC=C(N1C)[N+](=O)[O-]

2.2 Other Identifiers

2.2.1 UNII

K59P7XNB8X

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,2-dimethyl-5-nitroimidazole

2.3.2 Depositor-Supplied Synonyms

1. 1,2-dimethyl-5-nitroimidazole

2. 551-92-8

3. 1,2-dimethyl-5-nitro-1h-imidazole

4. Dimetridazol

5. Emtryl

6. Emtrylvet

7. Emtrymix

8. Unizole Soluble

9. Dimetridazolum

10. 5-nitro-1,2-dimethylimidazole

11. 1h-imidazole, 1,2-dimethyl-5-nitro-

12. Rp 8595

13. Dimetridazole Free Base

14. Alazol

15. Nsc 226253

16. 1,2-dimethyl-5-nitro-imidazole

17. 8595 R.p.

18. Imidazole, 1,2-dimethyl-5-nitro-

19. Nsc-226253

20. K59p7xnb8x

21. 551-92-8 (free Base)

22. Nsc226253

23. Dimetridazole (inn)

24. Rp-8595

25. Dimetridazolo

26. Dsstox_cid_497

27. Dimetridazole [inn]

28. Dsstox_rid_75623

29. Dsstox_gsid_20497

30. Dimetridazolo [dcit]

31. Caswell No. 371a

32. Dimetridazole [inn:ban]

33. Dimetridazol [inn-spanish]

34. Dimetridazolum [inn-latin]

35. Cas-551-92-8

36. Ccris 997

37. Einecs 209-001-2

38. Unii-k59p7xnb8x

39. Epa Pesticide Chemical Code 371200

40. Brn 0130665

41. Demetridazole

42. Dimetrizadole

43. Ai3-27217

44. Component Of Emtryl

45. Mfcd00047046

46. Dimetridazole [mi]

47. Alazol [veterinary] (tn)

48. Schembl63278

49. 5-23-05-00058 (beilstein Handbook Reference)

50. Chembl38938

51. Dimetridazole [mart.]

52. Imidazole,2-dimethyl-5-nitro-

53. Zinc1307

54. Dtxsid5020497

55. 1, 2-dimethyl-5-nitroimidazole

56. Chebi:141155

57. 1h-imidazole,2-dimethyl-5-nitro-

58. Act06679

59. Hy-b1244

60. Wln: T5n Cnj A1 B1 Enw

61. Tox21_113657

62. Tox21_201618

63. Tox21_302989

64. Bbl028012

65. S5541

66. Stl259130

67. Akos000121461

68. Am87060

69. Ccg-266155

70. Cs-4956

71. Dimetridazole 100 Microg/ml In Methanol

72. Ncgc00249084-01

73. Ncgc00249084-02

74. Ncgc00256615-01

75. Ncgc00259167-01

76. (1r,3s)-(-)-camphoricanhydride

77. Ac-12771

78. Dimetridazole 1000 Microg/ml In Methanol

79. D1564

80. D4081

81. Dimetridazole 100 Microg/ml In Acetonitrile

82. Eu-0033396

83. Ft-0606425

84. Ft-0667567

85. Dimetridazole 1000 Microg/ml In Acetonitrile

86. D07855

87. D78134

88. A830512

89. Dimetridazole, Vetranal(tm), Analytical Standard

90. Sr-01000944778

91. Q5277356

92. Sr-01000944778-1

93. W-105582

94. W-205401

95. 1,2-dimethyl-5-nitroimidazole; Dimetridazole; 1,2-dimethyl-5-nitro-1h-imidazole

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₅H₇N₃O₂
Molecular Weight	141.13 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	141.053826475 g/mol
Monoisotopic Mass	141.053826475 g/mol
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	144
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