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    Nitroxinil

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 62Xls

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    2D Structure
    Also known as: Nitroxynil, 1689-89-0, 4-hydroxy-3-iodo-5-nitrobenzonitrile, Dovenix, Benzonitrile, 4-hydroxy-3-iodo-5-nitro-, Nitroxinil [inn]
    Molecular Formula
    C7H3IN2O3
    Molecular Weight
    290.01  g/mol
    InChI Key
    SGKGVABHDAQAJO-UHFFFAOYSA-N
    FDA UNII
    9L0EXQ7125
    Proposed anthelmintic for fasciola and liver fluke infestations.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-hydroxy-3-iodo-5-nitrobenzonitrile
    2.1.2 InChI
    InChI=1S/C7H3IN2O3/c8-5-1-4(3-9)2-6(7(5)11)10(12)13/h1-2,11H
    2.1.3 InChI Key
    SGKGVABHDAQAJO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=C(C(=C1[N+](=O)[O-])O)I)C#N
    2.2 Other Identifiers
    2.2.1 UNII
    9L0EXQ7125
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Nitroxynil

    2.3.2 Depositor-Supplied Synonyms

    1. Nitroxynil

    2. 1689-89-0

    3. 4-hydroxy-3-iodo-5-nitrobenzonitrile

    4. Dovenix

    5. Benzonitrile, 4-hydroxy-3-iodo-5-nitro-

    6. Nitroxinil [inn]

    7. Deldrax

    8. 4-hydroxy-3-iodo-5-nitro-benzonitrile

    9. Mfcd00070776

    10. 9l0exq7125

    11. Nitroxinil (inn)

    12. Nitroxinyl

    13. Nitroxinilo

    14. Nitroxinilum

    15. 4-cyano-2-iodo-6-nitrophenol

    16. Nitroxinilum [inn-latin]

    17. Nitroxinilo [inn-spanish]

    18. Ccris 5743

    19. Nitroxinil [inn:ban]

    20. Einecs 216-884-8

    21. Brn 2213717

    22. Unii-9l0exq7125

    23. Deldrax (tn)

    24. Nitroxynil [mi]

    25. Nitroxinil [mart.]

    26. Trodax [veterynary] (tn)

    27. Mls006011503

    28. Schembl166956

    29. Zinc1823

    30. Chembl2104730

    31. Dtxsid9075117

    32. Albb-028654

    33. Bcp13892

    34. Akos000276265

    35. Ac-9329

    36. Hy-w049875

    37. Ks-1307

    38. Smr000797772

    39. Sy110145

    40. Bb 0241976

    41. Cs-0102838

    42. Ft-0633772

    43. En300-55806

    44. D08278

    45. Nitroxinil, Vetranal(tm), Analytical Standard

    46. 689n890

    47. A811045

    48. Sr-01000944912

    49. Q-201481

    50. Q2680251

    51. Sr-01000944912-1

    52. Brd-k23850772-001-01-0

    53. Z1250208635

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 290.01 g/mol
    Molecular Formula C7H3IN2O3
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass289.91884 g/mol
    Monoisotopic Mass289.91884 g/mol
    Topological Polar Surface Area89.8 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity256
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antiplatyhelmintic Agents

    Agents used to treat cestode, trematode, or other flatworm infestations in man or animals. (See all compounds classified as Antiplatyhelmintic Agents.)