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    CAS 152305-23-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 152305-23-2, (s)-4-(4-aminobenzyl)-2(1h)-oxazolidinone, (s)-4-(4-aminobenzyl)-2-oxazolidinone, (s)-4-(4-aminobenzyl)-1,3-oxazolidin-2-one, (4s)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one, (s)-4-(4-aminobenzyl)-2-(1h)-oxazolidinone
    Molecular Formula
    C10H12N2O2
    Molecular Weight
    192.21  g/mol
    InChI Key
    WNAVSKJKDPLWBD-VIFPVBQESA-N
    FDA UNII
    BJO4G2UWA4
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one
    2.1.2 InChI
    InChI=1S/C10H12N2O2/c11-8-3-1-7(2-4-8)5-9-6-14-10(13)12-9/h1-4,9H,5-6,11H2,(H,12,13)/t9-/m0/s1
    2.1.3 InChI Key
    WNAVSKJKDPLWBD-VIFPVBQESA-N
    2.1.4 Canonical SMILES
    C1C(NC(=O)O1)CC2=CC=C(C=C2)N
    2.1.5 Isomeric SMILES
    C1[C@@H](NC(=O)O1)CC2=CC=C(C=C2)N
    2.2 Other Identifiers
    2.2.1 UNII
    BJO4G2UWA4
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 152305-23-2

    2. (s)-4-(4-aminobenzyl)-2(1h)-oxazolidinone

    3. (s)-4-(4-aminobenzyl)-2-oxazolidinone

    4. (s)-4-(4-aminobenzyl)-1,3-oxazolidin-2-one

    5. (4s)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one

    6. (s)-4-(4-aminobenzyl)-2-(1h)-oxazolidinone

    7. 340041-89-6

    8. 2-oxazolidinone, 4-[(4-aminophenyl)methyl]-, (4s)-

    9. Bjo4g2uwa4

    10. (s)-4-(4-amino-benzyl)-oxazolidine-2-one

    11. (s)-4-(4-aminobenzyl)-oxazolidine-2-one

    12. 4-(4-aminobenzyl)oxazolidin-2-one,(s)-

    13. (4s)-4-aminophenylmethyl-oxazolidine-2-one

    14. S-4-(4-aminobenzyl)-1,3-oxazolidin-2-one

    15. (4s)-4-(4-aminobenzyl)-1,3-oxazolidin-2-one

    16. (4s)-4-((4-aminophenyl)methyl)-2-oxazolidinone

    17. (4s)-4-[(4-aminophenyl)methyl]-2-oxazolidinone

    18. (4s)-4-((4-aminophenyl)methyl)-1,3-oxazolidin-2-one

    19. 2-oxazolidinone, 4-((4-aminophenyl)methyl)-, (4s)-

    20. Mfcd03411476

    21. (s)-4-(4-aminobenzyl)-1,3-oxozolidin-2-one

    22. Unii-bjo4g2uwa4

    23. (4s)-4-[(4-aminophenyl)methyl]oxazolidin-2-one

    24. Schembl825617

    25. Zolmitriptan Impurity E [ep]

    26. 2-oxazolidinone,4-[(4-aminophenyl)methyl]-, (4s)-

    27. Zolmitriptan Related Compound G

    28. (s)-4-(4'-aminobenzyl)-1,3-oxazolidin-2-one

    29. Aminobenzyl Oxazolidinone [usp]

    30. Dtxsid301285890

    31. Act04409

    32. Zinc4101055

    33. Akos015855677

    34. Akos015889599

    35. Cs-w003042

    36. (s)-4-(4-aminobenzyl)-2-oxazolidinon

    37. Ds-11087

    38. Zolmitriptan Related Compound G [usp Rs]

    39. (4s)-(4-aminobenzyl)-2-oxazolidine-2-one

    40. Am20060519

    41. Zolmitriptan Impurity E [ep Impurity]

    42. (s)-4-(4-aminobenzyl)-1,3-oxazolidin 2-one

    43. Aminobenzyl Oxazolidinone [usp Impurity]

    44. Zolmitriptan Related Compound G [usp-rs]

    45. (4s)-4-(4-amino-benzyl)-1,3-oxazolidin-2-one

    46. 305a232

    47. J-502456

    48. (s)-4-(4-aminobenzyl)-2(1h)-oxazolidinone, 97%

    49. Zolmitriptan Related Compound G, United States Pharmacopeia (usp) Reference Standard

    2.4 Create Date
    2006-07-29
    3 Chemical and Physical Properties
    Molecular Weight 192.21 g/mol
    Molecular Formula C10H12N2O2
    XLogP31.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass192.089877630 g/mol
    Monoisotopic Mass192.089877630 g/mol
    Topological Polar Surface Area64.4 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity212
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1