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CAS 88054-22-2
Also known as: 696-23-1, 2-methyl-5-nitro-1h-imidazole, 88054-22-2, 2-methyl-4-nitroimidazole, 2-methyl-4-nitro-1h-imidazole, Menidazole
Molecular Formula
C4H5N3O2
Molecular Weight
127.10  g/mol
InChI Key
FFYTTYVSDVWNMY-UHFFFAOYSA-N
FDA UNII
24AG2WW15W

1 2D Structure

CAS 88054-22-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-methyl-5-nitro-1H-imidazole
2.1.2 InChI
InChI=1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)
2.1.3 InChI Key
FFYTTYVSDVWNMY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=NC=C(N1)[N+](=O)[O-]
2.2 Other Identifiers
2.2.1 UNII
24AG2WW15W
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-methyl-4(or 5)-nitroimidazole

2. 2-methyl-4-nitroimidazole

2.3.2 Depositor-Supplied Synonyms

1. 696-23-1

2. 2-methyl-5-nitro-1h-imidazole

3. 88054-22-2

4. 2-methyl-4-nitroimidazole

5. 2-methyl-4-nitro-1h-imidazole

6. Menidazole

7. 1h-imidazole, 2-methyl-4-nitro-

8. 1h-imidazole, 2-methyl-5-nitro-

9. 2-methyl-4(5)-nitroimidazole

10. Imidazole, 2-methyl-4-nitro-

11. Rp 8532

12. Tinidazole Related Compound A

13. 24ag2ww15w

14. Einecs 211-790-3

15. Unii-24ag2ww15w

16. Imidazole, 2-methyl-5-nitro-

17. Mfcd00005191

18. Tinidazole Impurity A

19. Ornidazole Impurity B

20. Metronidazole Impurity A

21. 5-nitro-2-methylimidazole

22. Ec 211-790-3

23. 2-methyl -5-nitroimidazole

24. 2-methyl-5-nitro Imidazole

25. Schembl63215

26. Mls006011386

27. 2-methyl-4(5)nitroimidazole

28. Chembl134454

29. Ornidazole Metabolite M1

30. 2-methyl-4-nitro-3h-imidazole

31. Dtxsid2061010

32. Ffyttyvsdvwnmy-uhfffaoysa-

33. Chebi:181956

34. Albb-020792

35. Bcp32909

36. Bcp32918

37. Methyl-4-nitroimidazole, 2-

38. Stk320516

39. Zinc18172810

40. Akos000266160

41. Akos000294748

42. Akos015912419

43. Akos025394814

44. 2-methyl-4(5)-nitroimidazole, 99%

45. 2-methyl-4-nitro-1h-imidazole-1-ide

46. Ac-8195

47. Cs-w011149

48. Imidazole, 2-methyl-4(or 5)-nitro-

49. Rp-8532

50. Sb38360

51. Ac-10807

52. As-10894

53. Smr004703227

54. Db-025909

55. Tinidazole Impurity A [ep Impurity]

56. Am20120266

57. Ft-0612958

58. Ft-0612982

59. M0922

60. 54m222

61. Menidazole, Vetranal(tm), Analytical Standard

62. Tinidazole Related Compound A [usp-rs]

63. A842456

64. Sr-01000945053

65. L-581490

66. Q-200303

67. Sr-01000945053-1

68. Tinidazole Related Compound A [usp Impurity]

69. W-109594

70. Metronidazole Benzoate Impurity B [ep Impurity]

71. Q27253838

72. F1905-7036

73. Z1245636358

74. 2-methyl-5-nitroimidazole, British Pharmacopoeia (bp) Reference Standard

75. Metronidazole Impurity A, European Pharmacopoeia (ep) Reference Standard

76. Tinidazole Ep Impurity A;ornidazole Impurity B;2-methyl-5-nitroimidazole

77. Tinidazole Impurity A, European Pharmacopoeia (ep) Reference Standard

78. N-(2,4-difluorobenzyl)-7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

79. Tinidazole Related Compound A, United States Pharmacopeia (usp) Reference Standard

80. 2-methyl-5-nitroimidazole(tinidazole Related Compound A)(metronidazole Impurity A), Pharmaceutical Secondary Standard; Certified Reference Material

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 127.10 g/mol
Molecular Formula C4H5N3O2
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass127.038176411 g/mol
Monoisotopic Mass127.038176411 g/mol
Topological Polar Surface Area74.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity122
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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