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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

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 Formula	C₇H₁₀ClN₃O₃
Molecular Weight	219.62 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	219.0410689 g/mol
Monoisotopic Mass	219.0410689 g/mol
Topological Polar Surface Area	83.9 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	211
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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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Ornidazole Manufacturers | Traders | Suppliers

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