Fluoromisonidazole

Synopsis, 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

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 Formula	C₆H₈FN₃O₃
Molecular Weight	189.14 g/mol
XLogP3	-0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	189.05496929 g/mol
Monoisotopic Mass	189.05496929 g/mol
Topological Polar Surface Area	83.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	187
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.)