CAS 168828-90-8

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2 Suppliers, 2 End Use APIs, 19 Related Intermediates

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2 End Use APIs
19 Related Intermediates

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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

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 Formula	C₁₄H₁₈FN₃O₃
Molecular Weight	295.31 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	68
Heavy Atom Count	21
Formal Charge	0
Complexity	379
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1