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Chemistry

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Also known as: 13551-89-8, Fmiso, Ro-07-0741, 1-(2-hydroxy-3-fluoropropyl)-2-nitroimidazole, 1-fluoro-3-(2-nitroimidazol-1-yl)propan-2-ol, Nsc-292930
Molecular Formula
C6H8FN3O3
Molecular Weight
189.14  g/mol
InChI Key
HIIJZYSUEJYLMX-UHFFFAOYSA-N
FDA UNII
082285VIDF

Fluoromisonidazole
1 2D Structure

Fluoromisonidazole

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-fluoro-3-(2-nitroimidazol-1-yl)propan-2-ol
2.1.2 InChI
InChI=1S/C6H8FN3O3/c7-3-5(11)4-9-2-1-8-6(9)10(12)13/h1-2,5,11H,3-4H2
2.1.3 InChI Key
HIIJZYSUEJYLMX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CN(C(=N1)[N+](=O)[O-])CC(CF)O
2.2 Other Identifiers
2.2.1 UNII
082285VIDF
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (f-18) Fluoromisonidazole

2. 1-(2-nitro-1-imidazolyl)-3-fluoro-2-propanol

3. 1-fluoro-2-hydroxypropyl-2-nitroimidazole

4. 1-fluoromisonidazole

5. 18f-fluoromisonidazole

6. 18f-fmiso

7. Fluoromisonidazole, 18f-labeled

8. Fluoromisonidazole, Tritium-labeled

9. Fluoronormethoxymisonidazole

10. Fmiso

11. Ro 07-0741

2.3.2 Depositor-Supplied Synonyms

1. 13551-89-8

2. Fmiso

3. Ro-07-0741

4. 1-(2-hydroxy-3-fluoropropyl)-2-nitroimidazole

5. 1-fluoro-3-(2-nitroimidazol-1-yl)propan-2-ol

6. Nsc-292930

7. 1h-imidazole-1-ethanol, .alpha.-(fluoromethyl)-2-nitro-

8. 082285vidf

9. 1-fluoro-3-(2-nitro-1h-imidazol-1-yl)propan-2-ol

10. Nsc292930

11. Ku-2210

12. Sr-1367

13. 1h-imidazole-1-ethanol,a-(fluoromethyl)-2-nitro-

14. 1h-imidazole-1-ethanol, Alpha-(fluoromethyl)-2-nitro (9ci)

15. Fluoromisonidazole; Ku 2210; Nsc 292930; Ro 07-0741; Sr 1367

16. Misonidazole, Fluoro-

17. 1-(2-nitro-1-imidazolyl)-3-fluoro-2-propanol

18. Nsc 292930

19. Ku 2210

20. Sr 1367

21. Sr 1369

22. Brn 0522249

23. Unii-082285vidf

24. Alpha-(fluoromethyl)-2-nitroimidazole-1-ethanol

25. 1-fluoro-3-(2-nitro-imidazol-1-yl)-propan-2-ol

26. Schembl368122

27. Imidazole-1-ethanol, Alpha-(fluoromethyl)-2-nitro-

28. 1h-imidazole-1-ethanol, Alpha-(fluoromethyl)-2-nitro

29. Chembl2068841

30. Dtxsid30875662

31. Akos006279809

32. Ft-0691079

33. 1-(3-f-2-ohpropyl)-2-no2 Imidazole

34. 1-(2-nitro-1-imidazolyl)-2-hydroxy-3-fluoropropane

35. Alpha-fluoromethyl-2-nitroimidazole-1-ethanol

36. Q27236348

37. 1-fluoro-3-(2-(hydroxy(oxido)amino)-1h-imidazol-1-yl)-2-propanol

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 189.14 g/mol
Molecular Formula C6H8FN3O3
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass189.05496929 g/mol
Monoisotopic Mass189.05496929 g/mol
Topological Polar Surface Area83.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity187
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.)


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