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    Chemistry

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    Also known as: 62973-76-6, Yp2y0drx4s, (e)-2-amino-4-(2-(1-methyl-5-nitroimidazol-2-yl)vinyl)pyrimidine, Azanidazol, Nitromidine, 4-[(e)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine
    Molecular Formula
    C10H10N6O2
    Molecular Weight
    246.23  g/mol
    InChI Key
    LHIALLMPKJMSIQ-NSCUHMNNSA-N
    FDA UNII
    YP2Y0DRX4S
    Azanidazole
    1 2D Structure

    Azanidazole

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine
    2.1.2 InChI
    InChI=1S/C10H10N6O2/c1-15-8(13-6-9(15)16(17)18)3-2-7-4-5-12-10(11)14-7/h2-6H,1H3,(H2,11,12,14)/b3-2+
    2.1.3 InChI Key
    LHIALLMPKJMSIQ-NSCUHMNNSA-N
    2.1.4 Canonical SMILES
    CN1C(=CN=C1C=CC2=NC(=NC=C2)N)[N+](=O)[O-]
    2.1.5 Isomeric SMILES
    CN1C(=CN=C1/C=C/C2=NC(=NC=C2)N)[N+](=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    YP2Y0DRX4S
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Triclose

    2.3.2 Depositor-Supplied Synonyms

    1. 62973-76-6

    2. Yp2y0drx4s

    3. (e)-2-amino-4-(2-(1-methyl-5-nitroimidazol-2-yl)vinyl)pyrimidine

    4. Azanidazol

    5. Nitromidine

    6. 4-[(e)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine

    7. Azanidazolum

    8. Triclose

    9. 2-pyrimidinamine, 4-(2-(1-methyl-5-nitro-1h-imidazol-2-yl)ethenyl)-, (e)-

    10. Azanidazol [inn-spanish]

    11. Azanidazolum [inn-latin]

    12. Unii-yp2y0drx4s

    13. Brn 4495385

    14. 4-((e)-2-(1-methyl-5-nitro-1h-imidazol-2-yl)-ethenyl)-2-pyrimidinamine

    15. Azanidazole [usan:inn:ban]

    16. Azanidazole [mi]

    17. Azanidazole [inn]

    18. Azanidazole (usan/inn)

    19. Azanidazole [usan]

    20. 4-((e)-2-(1-methyl-5-nitro-1h-imidazol-2-yl)-aethenyl)-2-pyrimidinamin

    21. Pyrimidine, 2-amino-4-((e)-2-(1-methyl-5-nitro-1h-imidazol-2-yl)ethenyl)-

    22. 4-((e)-2-(1-methyl-5-nitro-1h-imidazol-2-yl)-aethenyl)-2-pyrimidinamin [german]

    23. Azanidazole [mart.]

    24. Azanidazole [who-dd]

    25. Schembl668406

    26. Chembl134920

    27. Schembl20856187

    28. Dtxsid40212180

    29. Chebi:135001

    30. 4-(2-(1-methyl-5-nitro-1h-imidazol-2-yl)ethenyl)-2-pyrimidinamine (e)

    31. Db13350

    32. D03028

    33. Q523771

    34. 4-[2-(1-methyl-5-nitro-1h-imidazol-2-yl)ethenyl]-2-pyrimidinamine

    35. (e)-4-(2-(1-methyl-5-nitro-1h-imidazol-2-yl)vinyl)pyrimidin-2-amine

    2.4 Create Date
    2006-04-28
    3 Chemical and Physical Properties
    Molecular Weight 246.23 g/mol
    Molecular Formula C10H10N6O2
    XLogP3-0.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass246.08652358 g/mol
    Monoisotopic Mass246.08652358 g/mol
    Topological Polar Surface Area115 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity331
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    G - Genito urinary system and sex hormones

    G01 - Gynecological antiinfectives and antiseptics

    G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids

    G01AF - Imidazole derivatives

    G01AF13 - Azanidazole

    P - Antiparasitic products, insecticides and repellents

    P01 - Antiprotozoals

    P01A - Agents against amoebiasis and other protozoal diseases

    P01AB - Nitroimidazole derivatives

    P01AB04 - Azanidazole

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