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    Chemistry

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    Also known as: 16773-42-5, Tiberal, Ro 7-0207, Ornidazolum, Madelen, Ornidazol
    Molecular Formula
    C7H10ClN3O3
    Molecular Weight
    219.62  g/mol
    InChI Key
    IPWKIXLWTCNBKN-UHFFFAOYSA-N
    FDA UNII
    62XCK0G93T
    Ornidazole
    A nitroimidazole antiprotozoal agent used in ameba and trichomonas infections. It is partially plasma-bound and also has radiation-sensitizing action.
    1 2D Structure

    Ornidazole

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
    2.1.2 InChI
    InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3
    2.1.3 InChI Key
    IPWKIXLWTCNBKN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    62XCK0G93T
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ro 7 0207

    2. Ro 7-0207

    3. Ro 70207

    4. Ro-70207

    5. Ro7 0207

    6. Ro7-0207

    7. Ro70207

    8. Tiberal

    2.3.2 Depositor-Supplied Synonyms

    1. 16773-42-5

    2. Tiberal

    3. Ro 7-0207

    4. Ornidazolum

    5. Madelen

    6. Ornidazol

    7. 1-chloro-3-(2-methyl-5-nitro-1h-imidazol-1-yl)propan-2-ol

    8. 1-(3-chloro-2-hydroxypropyl)-2-methyl-5-nitroimidazole

    9. 1-chloro-3-(2-methyl-5-nitro-1h-imidazol-1-yl)-2-propanol

    10. Nsc 95075

    11. Ro-70207

    12. 1-(2-hydroxy-3-chloropropyl)-2-methyl-5-nitroimidazole

    13. Chebi:75176

    14. Alpha-(chloromethyl)-2-methyl-5-nitro-1h-imidazole-1-ethanol

    15. Nsc-95075

    16. 1h-imidazole-1-ethanol, .alpha.-(chloromethyl)-2-methyl-5-nitro-

    17. Mls000028628

    18. 1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol

    19. 62xck0g93t

    20. Alpha-(chlormethyl)-2-methyl-5-nitro-imidazol-1-aethanol

    21. .alpha.-(chloromethyl)-2-methyl-5-nitroimidazole-1-ethanol

    22. 1h-imidazole-1-ethanol, Alpha-(chloromethyl)-2-methyl-5-nitro-

    23. Nsc95075

    24. Smr000058726

    25. Imidazole-1-ethanol, .alpha.-(chloromethyl)-2-methyl-5-nitro-

    26. Ro-7-0207

    27. Dsstox_cid_25420

    28. Dsstox_rid_80868

    29. Dsstox_gsid_45420

    30. 1-chloro-3-(2-methyl-5-nitro-1-imidazolyl)-2-propanol

    31. Ornidal

    32. Ornidazole [usan:inn]

    33. Ornidazol [inn-spanish]

    34. Ornidazolum [inn-latin]

    35. Ccris 9030

    36. Sr-01000000256

    37. Einecs 240-826-0

    38. Brn 0614299

    39. Unii-62xck0g93t

    40. Alpha-(chloromethyl)-2-methyl-5-nitroimidazole-1-ethanol

    41. (r)-ornidazole

    42. Ornidazole,(s)

    43. Ncgc00016723-01

    44. Prestwick_584

    45. Cas-16773-42-5

    46. Mfcd00057960

    47. Ornidazole [mi]

    48. Ornidazole [inn]

    49. Alpha-(chlormethyl)-2-methyl-5-nitro-imidazol-1-aethanol [german]

    50. Opera_id_1555

    51. Ornidazole (usan/inn)

    52. Prestwick0_000164

    53. Prestwick1_000164

    54. Prestwick2_000164

    55. Prestwick3_000164

    56. (.+/-.)-ornidazole

    57. Ornidazole [usan]

    58. Ornidazole [mart.]

    59. Nciopen2_006374

    60. Ornidazole [who-dd]

    61. Schembl43039

    62. Bspbio_000027

    63. 5-23-05-00072 (beilstein Handbook Reference)

    64. Mls001424188

    65. Spbio_001948

    66. Ornidazole, Analytical Standard

    67. Bpbio1_000031

    68. Chembl1449676

    69. Dtxsid4045420

    70. 1-chloro-3-(2-methyl-5-nitro-imidazol-1-yl)propan-2-ol

    71. Hms1568b09

    72. Hms2051d22

    73. Hms2093j22

    74. Hms2095b09

    75. Hms2234l22

    76. Hms3373m17

    77. Hms3393d22

    78. Hms3652c03

    79. Hms3712b09

    80. Imidazole-1-ethanol, Alpha-(chloromethyl)-2-methyl-5-nitro-

    81. Pharmakon1600-01505981

    82. Bcp12975

    83. Bcp13382

    84. Bcp34382

    85. Hy-b0508

    86. Tox21_110582

    87. Bbl005302

    88. Bdbm50247904

    89. Nsc759295

    90. S3121

    91. Stk629340

    92. Akos005111039

    93. Akos015894928

    94. Ornidazole 100 Microg/ml In Methanol

    95. Tox21_110582_1

    96. Ab02333

    97. Ac-2025

    98. Am86682

    99. Ccg-101064

    100. Ccg-213587

    101. Db13026

    102. Nc00314

    103. Nsc-759295

    104. Ncgc00018275-02

    105. Ncgc00018275-05

    106. As-12121

    107. Sbi-0206881.p001

    108. Ab00513814

    109. Ft-0630433

    110. O0417

    111. Sw196758-4

    112. D05274

    113. Ab00383044_14

    114. Ab00383044_15

    115. 773o425

    116. A810899

    117. Ornidazole Levo-;ornidazole Impurity 7;levornidazole

    118. Q-201520

    119. Q2358146

    120. Sr-01000000256-3

    121. Sr-01000000256-4

    122. Brd-a42759514-001-03-1

    123. Brd-a42759514-001-09-8

    124. .alpha.-(chlormethyl)-2-methyl-5-nitro-imidazol-1-aethanol

    125. 1-chloro-3-(2-methyl-5-nitro-1n-imidazol-1-yl)propan-2-ol

    126. .alpha.-(chloromethyl)-2-methyl-5-nitro-1h-imidazole-1-ethanol

    127. 1-chloro-3-(2-methyl-5-nitro-1h-imidazol-1-yl)-2-propanol #

    128. Ornidazole,1(3-chloro-2-hydroxypropyl)-2-methyl-5-nitro Imidazole

    129. Ornidazole, (r)-;(r)-1-chloro-3-(2-methyl-5-nitro-1h-imidazol-1-yl)propan-2-ol

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 219.62 g/mol
    Molecular Formula C7H10ClN3O3
    XLogP30.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass219.0410689 g/mol
    Monoisotopic Mass219.0410689 g/mol
    Topological Polar Surface Area83.9 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity211
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Radiation-Sensitizing Agents

    Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells. (See all compounds classified as Radiation-Sensitizing Agents.)

    Amebicides

    Agents which are destructive to amebae, especially the parasitic species causing AMEBIASIS in man and animal. (See all compounds classified as Amebicides.)

    Antitrichomonal Agents

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

    4.2 ATC Code

    J01XD03

    S76 | LUXPHARMA | Pharmaceuticals Marketed in Luxembourg | Pharmaceuticals marketed in Luxembourg, as published by d'Gesondheetskeess (CNS, la caisse nationale de sante, www.cns.lu), mapped by name to structures using CompTox by R. Singh et al. (in prep.). List downloaded from https://cns.public.lu/en/legislations/textes-coordonnes/liste-med-comm.html. Dataset DOI:10.5281/zenodo.4587355

    G - Genito urinary system and sex hormones

    G01 - Gynecological antiinfectives and antiseptics

    G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids

    G01AF - Imidazole derivatives

    G01AF06 - Ornidazole

    J - Antiinfectives for systemic use

    J01 - Antibacterials for systemic use

    J01X - Other antibacterials

    J01XD - Imidazole derivatives

    J01XD03 - Ornidazole

    P - Antiparasitic products, insecticides and repellents

    P01 - Antiprotozoals

    P01A - Agents against amoebiasis and other protozoal diseases

    P01AB - Nitroimidazole derivatives

    P01AB03 - Ornidazole

    4.3 Metabolism/Metabolites

    Ornidazole has known human metabolites that include (2S,3S,4S,5R)-6-[1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560

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    24-Jan-2021
    29-Oct-2024
    KGS
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    (USD/KGS)    		 Number of Transactions

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