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    Technical details about DSSTox_CID_31584, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_31584

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    INTERMEDIATES

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 6506-37-2, Naxogin, Nitrimidazine, Nimorazol, Nulogyl, Esclama
    Molecular Formula
    C9H14N4O3
    Molecular Weight
    226.23  g/mol
    InChI Key
    MDJFHRLTPRPZLY-UHFFFAOYSA-N
    FDA UNII
    469ULX0H4G
    An antitrichomonal agent which is effective either topically or orally and whose urinary metabolites are also trichomonicidal.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine
    2.1.2 InChI
    InChI=1S/C9H14N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2
    2.1.3 InChI Key
    MDJFHRLTPRPZLY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1COCCN1CCN2C=NC=C2[N+](=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    469ULX0H4G
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Esclama

    2. K 1900

    3. K-1900

    4. K1900

    5. Naxogin

    6. Nitrimidazine

    7. Nulogyl

    2.3.2 Depositor-Supplied Synonyms

    1. 6506-37-2

    2. Naxogin

    3. Nitrimidazine

    4. Nimorazol

    5. Nulogyl

    6. Esclama

    7. Naxofem

    8. 4-(2-(5-nitro-1h-imidazol-1-yl)ethyl)morpholine

    9. Acterol

    10. Acterol Forte

    11. 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine

    12. Nimorazolo

    13. Sirledi

    14. K-1900

    15. N-2-morpholinoethyl-5-nitroimidazole

    16. 1-(2-n-morpholinylethyl)-5-nitroimidazole

    17. Morpholine, 4-[2-(5-nitro-1h-imidazol-1-yl)ethyl]-

    18. Nsc 107524

    19. 4-(2-(5-nitroimidazol-1-yl)ethyl)morpholine

    20. Nsc-107524

    21. 4-[2-(5-nitro-1h-imidazol-1-yl)ethyl]morpholine

    22. Morpholine, 4-(2-(5-nitro-1h-imidazol-1-yl)ethyl)-

    23. Mls002703984

    24. 469ulx0h4g

    25. Morpholine, 4-(2-(5-nitroimidazol-1-yl)ethyl)-

    26. Nimorazole (inn)

    27. Nimorazolum

    28. Nimorazole [inn]

    29. 1-(.beta.-morpholinoethyl)-5-nitroimidazole

    30. Morpholine, 4-[2-(5-nitroimidazol-1-yl)ethyl]-

    31. Nimorazolo [dcit]

    32. Nimorazol [inn-spanish]

    33. Nimorazolum [inn-latin]

    34. K 1900

    35. 1-(beta-morpholinoethyl)-5-nitroimidazole

    36. 1-(n-p-ethylmorpholine)-5-nitroimidazole

    37. Nimorazole [inn:ban]

    38. Einecs 229-394-4

    39. 4-(2-(5-nitroimidazol-1-yl)ethyl)-morpholine

    40. Brn 0533758

    41. Unii-469ulx0h4g

    42. Naxogin (tn)

    43. Nimorazole [mi]

    44. Nimorazole [mart.]

    45. Dsstox_cid_31584

    46. Dsstox_rid_97468

    47. Nimorazole [who-dd]

    48. Dsstox_gsid_57795

    49. Schembl21836

    50. Chembl435966

    51. Dtxsid1057795

    52. Chebi:134929

    53. Bcp11055

    54. Tox21_113897

    55. Mfcd00866796

    56. Nsc107524

    57. S6411

    58. Zinc26167988

    59. Akos022174968

    60. Db12172

    61. Ncgc00261977-01

    62. Ac-35227

    63. Am807557

    64. As-31120

    65. Da-21636

    66. Hy-16349

    67. Smr001570693

    68. Cas-6506-37-2

    69. Wln: T6n Dotj A2- At5n Cnj Enw

    70. Ft-0710009

    71. A13091

    72. D07352

    73. 506n372

    74. A834961

    75. Q7037737

    76. 4-[2-(5-nitro-1h-imidazol-1-yl)ethyl]morpholine #

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 226.23 g/mol
    Molecular Formula C9H14N4O3
    XLogP3-0.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass226.10659032 g/mol
    Monoisotopic Mass226.10659032 g/mol
    Topological Polar Surface Area76.1 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity239
    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

    Antitrichomonal Agents

    Agents used to treat trichomonas infections. (See all compounds classified as Antitrichomonal Agents.)

    4.2 ATC Code

    P - Antiparasitic products, insecticides and repellents

    P01 - Antiprotozoals

    P01A - Agents against amoebiasis and other protozoal diseases

    P01AB - Nitroimidazole derivatives

    P01AB06 - Nimorazole

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