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    CAS 446292-10-0

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 446292-10-0, Jz8pkp6ctz, 3-morpholinone, 4-[4-[(5s)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-, 4-[4-[(5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one, Rivaroxaban aminomethyl impurity, 4-{4-[(5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one
    Molecular Formula
    C14H17N3O4
    Molecular Weight
    291.30  g/mol
    InChI Key
    DEXXSYVEWAYIGZ-LBPRGKRZSA-N
    FDA UNII
    JZ8PKP6CTZ
    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
    2.1.2 InChI
    InChI=1S/C14H17N3O4/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/t12-/m0/s1
    2.1.3 InChI Key
    DEXXSYVEWAYIGZ-LBPRGKRZSA-N
    2.1.4 Canonical SMILES
    C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CN
    2.1.5 Isomeric SMILES
    C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CN
    2.2 Other Identifiers
    2.2.1 UNII
    JZ8PKP6CTZ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 446292-10-0

    2. Jz8pkp6ctz

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

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

    5. Rivaroxaban Aminomethyl Impurity

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

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

    8. Des(5-chloro-2-carboxythienyl) Rivaroxaban

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

    10. 3-morpholinone, 4-(4-((5s)-5-(aminomethyl)-2-oxo-3-oxazolidinyl)phenyl)-

    11. Rivaroxaban Intermediate

    12. Unii-jz8pkp6ctz

    13. Schembl87178

    14. Bdbm7941

    15. Chembl3671238

    16. Dtxsid40463130

    17. Amy18506

    18. Cs-m0391

    19. Mfcd11977666

    20. Zinc34874836

    21. Akos015999579

    22. Ds-14628

    23. 292m100

    24. A846748

    25. Us8822458, 151

    26. 4-(4-(5-(aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one

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

    28. (s)-4-(4-(5-(aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morph Olin-3-one

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

    30. (s)-4-[4-(5-aminomethyl-2-oxo-oxazolidine-3-yl)phenyl]morpholin-3-one

    31. 4-[4-((s)-5-aminomethyl-2-oxooxazolidin-3-yl)phenyl]morpholin-3-one

    32. 4-[4-[(5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholine-3-one

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

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

    35. 4-{4-[(5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3-morpholinone

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

    37. 4-{4-[5(s)-(amino Methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 291.30 g/mol
    Molecular Formula C14H17N3O4
    XLogP3-0.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass291.12190603 g/mol
    Monoisotopic Mass291.12190603 g/mol
    Topological Polar Surface Area85.1 Ų
    Heavy Atom Count21
    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 Count1