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    CAS 898543-06-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 898543-06-1, (s)-4-(4-(5-(aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one hcl, 4-[4-[(5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one hydrochloride, 4-[4-[(5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one;hydrochloride, 4-[4-[(5s)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone hydrochloride, 4-{4-[(5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one hydrochloride
    Molecular Formula
    C14H18ClN3O4
    Molecular Weight
    327.76  g/mol
    InChI Key
    ITMQDYQHNKXERQ-YDALLXLXSA-N
    FDA UNII
    R5YC7W3X3C
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C14H17N3O4.ClH/c15-7-12-8-17(14(19)21-12)11-3-1-10(2-4-11)16-5-6-20-9-13(16)18;/h1-4,12H,5-9,15H2;1H/t12-;/m0./s1
    2.1.3 InChI Key
    ITMQDYQHNKXERQ-YDALLXLXSA-N
    2.1.4 Canonical SMILES
    C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CN.Cl
    2.1.5 Isomeric SMILES
    C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CN.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    R5YC7W3X3C
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 898543-06-1

    2. (s)-4-(4-(5-(aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one Hcl

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

    4. 4-[4-[(5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one;hydrochloride

    5. 4-[4-[(5s)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone Hydrochloride

    6. 4-{4-[(5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one Hydrochloride

    7. (s)-4-[4-[5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]morpholin-3-one Hydrochloride

    8. 4-(4-((5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl)phenyl)morpholin-3-one Hydrochloride

    9. 4-(4-((5s)-5-(aminomethyl)-2-oxo-3-oxazolidinyl)phenyl)-3-morpholinone Hydrochloride

    10. 4-[4-[(5s)-5-(aminomethyl)-2-oxooxazolidin-3-yl]phenyl]morpholin-3-one Hydrochloride

    11. Ec 618-311-0

    12. R5yc7w3x3c

    13. Schembl792570

    14. Dtxsid20581225

    15. Cs-m1864

    16. Mfcd20133901

    17. Akos016001386

    18. R-(-)-methamphetamine-d3 Hydrochloride

    19. 1329647-30-4

    20. 3-morpholinone, 4-[4-[(5s)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-, Hydrochloride (1:1)

    21. Ac-25295

    22. As-19754

    23. Da-18285

    24. Am20090739

    25. J-513406

    26. 4-{4-[(5s)-5-aminomethyl)-2-oxo-1,3-oxazolidin-3-yl}morpholin-3-one

    27. S)-4-(4-(5-(aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one.hcl

    28. (s)-4-(4-(5-(aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-onehydrochloride

    29. (s)-4-{4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one Hydrochloride

    30. 4-((s)-5-aminomethyl-2-oxo-oxazolidin-3-yl)-phenyl-morpholin-3-one Hydrochloride

    31. 4-(4-(5-(aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one Hydrochloride

    32. 4-[4-[(5s)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone Hydrochloride Salt

    33. 4-{4-[(5s)-5-(amino Methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one Hydrochloride

    34. 4-{4-[(5s)-5-(aminomethyl)-2-oxo-1, 3-oxazolidin-3-yl] Phenyl} Morpholin-3-one Hydrochloride

    35. 4-{4-[(5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one--hydrogen Chloride (1/1)

    36. 4-{4-[(5s)-5-aminomethyl-2-oxo-1,3-oxazolidine-3-yl]-phenyl}-morpholine-3-one Hydrochloride

    2.4 Create Date
    2007-04-09
    3 Chemical and Physical Properties
    Molecular Weight 327.76 g/mol
    Molecular Formula C14H18ClN3O4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass327.0985838 g/mol
    Monoisotopic Mass327.0985838 g/mol
    Topological Polar Surface Area85.1 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity409
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2