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    Ternidazole

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 351Xls

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    2D Structure
    Also known as: 1077-93-6, Ternidazole [inn], 3-(2-methyl-5-nitroimidazol-1-yl)propan-1-ol, 4n8r018qb0, 3-(2-methyl-5-nitro-1h-imidazol-1-yl)propan-1-ol, Ternidazol
    Molecular Formula
    C7H11N3O3
    Molecular Weight
    185.18  g/mol
    InChI Key
    DUOHVNSMLSPTMI-UHFFFAOYSA-N
    FDA UNII
    4N8R018QB0
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(2-methyl-5-nitroimidazol-1-yl)propan-1-ol
    2.1.2 InChI
    InChI=1S/C7H11N3O3/c1-6-8-5-7(10(12)13)9(6)3-2-4-11/h5,11H,2-4H2,1H3
    2.1.3 InChI Key
    DUOHVNSMLSPTMI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NC=C(N1CCCO)[N+](=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    4N8R018QB0
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (3-(2-methyl-5-nitroimidazol-1-yl)-propan-1-ol)

    2. 3-(2-methyl-5-nitroimidazol-1-yl)-propan-1-ol

    2.3.2 Depositor-Supplied Synonyms

    1. 1077-93-6

    2. Ternidazole [inn]

    3. 3-(2-methyl-5-nitroimidazol-1-yl)propan-1-ol

    4. 4n8r018qb0

    5. 3-(2-methyl-5-nitro-1h-imidazol-1-yl)propan-1-ol

    6. Ternidazol

    7. Ternidazolum

    8. Ternidazol [inn-spanish]

    9. Ternidazolum [inn-latin]

    10. 1-(3-hydroxypropyl)-2-methyl-5-nitro-1h-imidazole

    11. Unii-4n8r018qb0

    12. Einecs 214-077-5

    13. 1h-imidazole-1-propanol, 2-methyl-5-nitro-

    14. Ternidazole [mart.]

    15. Ternidazole [who-dd]

    16. Chembl185647

    17. Schembl2108944

    18. Dtxsid60862525

    19. Zinc1846040

    20. 2-methyl-5-nitroimidazole-1-propanol

    21. Akos006271736

    22. Am90173

    23. Ft-0691786

    24. 1-(3-hydroxypropyl)-2-methyl-5-nitroimidazole

    25. 077t936

    26. 3-(2-methyl-5-nitroimidazol-1-yl)-propan-1-ol

    27. (3-(2-methyl-5-nitroimidazol-1-yl)-propan-1-ol)

    28. Q27260224

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 185.18 g/mol
    Molecular Formula C7H11N3O3
    XLogP3-1.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass185.08004122 g/mol
    Monoisotopic Mass185.08004122 g/mol
    Topological Polar Surface Area83.9 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity182
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1