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Also known as: 168828-90-8, Deacetyl linezolid, Pnu-105368, (-)-(s)-5-(aminomethyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one, Unii-96t3q5llfr, Pnu 105868
Molecular Formula
C14H18FN3O3
Molecular Weight
295.31  g/mol
InChI Key
VXIWZOWWQMRVRF-NSHDSACASA-N
FDA UNII
96T3Q5LLFR

CAS 168828-90-8
1 2D Structure

CAS 168828-90-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(5S)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
2.1.2 InChI
InChI=1S/C14H18FN3O3/c15-12-7-10(18-9-11(8-16)21-14(18)19)1-2-13(12)17-3-5-20-6-4-17/h1-2,7,11H,3-6,8-9,16H2/t11-/m0/s1
2.1.3 InChI Key
VXIWZOWWQMRVRF-NSHDSACASA-N
2.1.4 Canonical SMILES
C1COCCN1C2=C(C=C(C=C2)N3CC(OC3=O)CN)F
2.1.5 Isomeric SMILES
C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CN)F
2.2 Other Identifiers
2.2.1 UNII
96T3Q5LLFR
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 168828-90-8

2. Deacetyl Linezolid

3. Pnu-105368

4. (-)-(s)-5-(aminomethyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one

5. Unii-96t3q5llfr

6. Pnu 105868

7. 96t3q5llfr

8. (s)-n-[[3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]amine

9. (s)-n-((3-(3-fluoro-4-(4-morpholinyl)phenyl)-2-oxo-5-oxazolidinyl)methyl)amine

10. 2-oxazolidinone, 5-(aminomethyl)-3-(3-fluoro-4-(4-morpholinyl)phenyl)-, (5s)-

11. (s)-5-(aminomethyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one (desacetyllinezolid)

12. Mfcd18379308

13. (s)-n-[[3-[3-fluoro-4-[4-morpholinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]amine

14. (5s)-5-(aminomethyl)-3-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one

15. De-acetyl Linezolid

16. Linezolid Amine

17. Schembl76846

18. Chembl4203555

19. Dtxsid60444845

20. Vxiwzowwqmrvrf-nshdsacasa-n

21. Pnu105868

22. Akos015901785

23. Linezolid Amine [usp Impurity]

24. Cs-w006449

25. Pnu-105868

26. As-13994

27. Am20030129

28. A851826

29. J-502469

30. Q27271930

31. (s)-5-(aminomethyl)-3-(3-fluoro-4-morpholinophenyl) Oxazolidin-2-one

32. (s)-n-[3-(3-fluoro-4-morpholinylphenyl)-2-oxo-5-oxazolidinyl]methyl Amine

33. 3-(3-fluoro-4-morpholinylphenyl)-5(s)-aminomethyl-1,3-oxazolidin-2-one

34. (5s)-5-(aminomethyl)-3-(3-fluoro-4-morpholinophenyl)-1,3-oxazolidin-2-one

35. (5s)-5-(aminomethyl)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-1,3-oxazolidin-2-one

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 295.31 g/mol
Molecular Formula C14H18FN3O3
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area68
Heavy Atom Count21
Formal Charge0
Complexity379
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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(S)-5-(Aminomethyl)-3-(3-fluoro-4-morpholinophenyl...

CAS Number : 168828-90-8

End Use API :

About the Company : Sigmak Lifesciences is a leading contract manufacturer, merchant exporter, & distributor of pharmaceutical APIs & Fine Chemicals. We excel in Contract Manufacturing, covering a wide spe...

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The Pharmacy Technology
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(S)-5-(Aminomethyl)-3-(3-fluoro-4-morpholinophenyl...

CAS Number : 168828-90-8

End Use API :

About the Company : Sigmak Lifesciences is a leading contract manufacturer, merchant exporter, & distributor of pharmaceutical APIs & Fine Chemicals. We excel in Contract Manufacturing, covering a wide spe...

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