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Also known as: 174649-09-3, (r)-[3-(3-fluoro-4-morpholinophenyl)-2-oxo-5-oxazolidinyl]methyl methanesulfonate, Linezolid mesylate ester, D02quu2jky, [(5r)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate, Linezolid related compound d [usp-rs]
Molecular Formula
C15H19FN2O6S
Molecular Weight
374.4  g/mol
InChI Key
UCVIKCGVGWBTTI-GFCCVEGCSA-N
FDA UNII
D02QUU2JKY

CAS 174649-09-3
1 2D Structure

CAS 174649-09-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
2.1.2 InChI
InChI=1S/C15H19FN2O6S/c1-25(20,21)23-10-12-9-18(15(19)24-12)11-2-3-14(13(16)8-11)17-4-6-22-7-5-17/h2-3,8,12H,4-7,9-10H2,1H3/t12-/m1/s1
2.1.3 InChI Key
UCVIKCGVGWBTTI-GFCCVEGCSA-N
2.1.4 Canonical SMILES
CS(=O)(=O)OCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F
2.1.5 Isomeric SMILES
CS(=O)(=O)OC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F
2.2 Other Identifiers
2.2.1 UNII
D02QUU2JKY
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 174649-09-3

2. (r)-[3-(3-fluoro-4-morpholinophenyl)-2-oxo-5-oxazolidinyl]methyl Methanesulfonate

3. Linezolid Mesylate Ester

4. D02quu2jky

5. [(5r)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl Methanesulfonate

6. Linezolid Related Compound D [usp-rs]

7. (3-(3-fluoro-4-morpholinophenyl)-2-oxooxazolidin-5-yl)methyl Methanesulfonate, (r)-

8. (5r)-3-(3-fluoro-4-(4-morpholinyl)phenyl)-5-(((methylsulfonyl)oxy)methyl)-2-oxazolidinone

9. (5r)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-[[(methylsulfonyl)oxy]methyl]-2-oxazolidinone

10. 2-oxazolidinone, 3-(3-fluoro-4-(4-morpholinyl)phenyl)-5-(((methylsulfonyl)oxy)methyl)-, (r)-

11. 2-oxazolidinone, 3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-[[(methylsulfonyl)oxy]methyl]-, (5r)-

12. Unii-d02quu2jky

13. Linezolid Related Compound D

14. Schembl12126884

15. Dtxsid70442918

16. Linezolid Related Compound D [usp]

17. Mfcd18070719

18. Zinc39140048

19. Akos015913626

20. Ds-3714

21. (r)-(3-(3-fluoro-4-morpholinophenyl)-2-oxooxazolidin-5-yl)methylmethanesulfonate

22. Am20030162

23. Cs-0150118

24. D78062

25. A851827

26. J-502106

27. Linezolid Related Compound D [usp Impurity]

28. ((r)-3-(3-fluoro-4-morpholinophenyl)-2-oxooxazolidin-5-yl)methyl Methanesulfonate

29. ((r)-n-[[3-[3-fluro-4-morpholinyl]-phenyl]-2-oxo-5-oxazolidinyl]methyl] Methane Sulfonate

30. (5r)-[3-(3-fluoro-4-morpholinophenyl)-2-oxooxazolidin-5-yl]methyl Methanesulfonate

31. (r)-[3-(3-fluoro-4-morpholinophenyl)-2-oxo-5-oxazolidinyl]methylmethanesulfonate

32. {(5r)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl Methanesulfonate

33. 2-oxazolidinone, 3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-[[(methylsulfonyl)oxy]methyl]-, (5r)

34. Methyl ((r)-3-(3-fluoro-4-morpholinophenyl)-2-oxooxazolidin-5-yl)methanesulfonate;(r)-(3-(3-fluoro-4-morpholinophenyl)-2-oxooxazolidin-5-yl)methyl Methanesulfonate

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 374.4 g/mol
Molecular Formula C15H19FN2O6S
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass374.09478567 g/mol
Monoisotopic Mass374.09478567 g/mol
Topological Polar Surface Area93.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity577
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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