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    Technical details about CAS 168828-90-8, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 168828-90-8

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    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

    2D Structure

    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