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    Metronidazole Benzoate

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    DIGITAL CONTENT

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 11Xls

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    2D Structure
    Also known as: 13182-89-3, Benzoyl metronidazole, Benzoylmetronidazole, 2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl benzoate, Klion suspension, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl benzoate
    Molecular Formula
    C13H13N3O4
    Molecular Weight
    275.26  g/mol
    InChI Key
    CUUCCLJJOWSASK-UHFFFAOYSA-N
    FDA UNII
    A355C835XC
    Metronidazole Benzoate is the benzoate ester of metronidazole, a synthetic nitroimidazole derivative with antiprotozoal and antibacterial activities.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(2-methyl-5-nitroimidazol-1-yl)ethyl benzoate
    2.1.2 InChI
    InChI=1S/C13H13N3O4/c1-10-14-9-12(16(18)19)15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
    2.1.3 InChI Key
    CUUCCLJJOWSASK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NC=C(N1CCOC(=O)C2=CC=CC=C2)[N+](=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    A355C835XC
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Benzoylmetronidazole

    2. Benzoylmetronidazole Monohydrate

    3. Klion Suspension

    2.3.2 Depositor-Supplied Synonyms

    1. 13182-89-3

    2. Benzoyl Metronidazole

    3. Benzoylmetronidazole

    4. 2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl Benzoate

    5. Klion Suspension

    6. 2-(2-methyl-5-nitroimidazol-1-yl)ethyl Benzoate

    7. 2-methyl-5-nitro-1h-imidazole-1-ethyl Benzoate

    8. Chebi:50688

    9. A355c835xc

    10. 1h-imidazole-1-ethanol, 2-methyl-5-nitro-, 1-benzoate

    11. Flagyl S

    12. Unii-a355c835xc

    13. Metronidazole Benzoate [usp:ban]

    14. Einecs 236-131-7

    15. Metronidazoli Benzoas

    16. Elyzol (tn)

    17. Benzoylmetronildazole;

    18. Oprea1_489419

    19. Metronidazole Benzoate (usp)

    20. Mls000590415

    21. Schembl366213

    22. Chembl1466172

    23. Dtxsid60157221

    24. Hms2569a06

    25. Zinc163922

    26. Bcp28722

    27. Mfcd00693654

    28. S5863

    29. Akos015888108

    30. Metronidazole Benzoate [mart.]

    31. Ab06961

    32. Ccg-253836

    33. Metronidazole Benzoate [usp-rs]

    34. Metronidazole Benzoate [who-dd]

    35. Metronidazole Benzoate [who-ip]

    36. Ncgc00160502-01

    37. Ac-14443

    38. Ac-33577

    39. As-13537

    40. Smr000217345

    41. Db-042064

    42. Hy-122975

    43. Metronidazole Benzoate;benzoyl Metronidazole

    44. Cs-0090787

    45. Ft-0628935

    46. Metronidazole Benzoate [ep Monograph]

    47. Metronidazoli Benzoas [who-ip Latin]

    48. Metronidazole Benzoate [usp Monograph]

    49. C90395

    50. D08214

    51. 2-(2-methyl-5-nitro-1-imidazolyl)ethyl Benzoate

    52. 5-nitro-2-methyl-1-(2-benzoyloxyethyl)-imidazole

    53. A806316

    54. 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl Benzoate

    55. Q12199321

    56. Benzoic Acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl Ester

    57. Benzoic Acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl Ester

    58. Metronidazole Benzoate; 2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethyl Benzoate

    2.4 Create Date
    2005-07-08
    3 Chemical and Physical Properties
    Molecular Weight 275.26 g/mol
    Molecular Formula C13H13N3O4
    XLogP32
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass275.09060590 g/mol
    Monoisotopic Mass275.09060590 g/mol
    Topological Polar Surface Area89.9 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity352
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1