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    Chemistry

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    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
    CAS 88054-22-2
    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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