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    Technical details about (4S,5R)-3-Benzoyl-2-(4-methoxyphenyl)-4-phenyloxazolidine-5-carboxylic acid, learn more about the structure, uses, toxicity, action, side effects and more

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    (4S,5R)-3-Benzoyl-2-(4-methoxyphenyl)-4-phenyloxazolidine-5-carboxylic acid

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    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: 949023-16-9, (4s,5r)-3-benzoyl-2-(4-methoxyphenyl)-4-phenyl-5-oxazolidinecarboxylic acid, (4s,5r)-3-benzoyl-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid, Schembl7071105, Dtxsid40453238, Amy21997
    Molecular Formula
    C24H21NO5
    Molecular Weight
    403.4  g/mol
    InChI Key
    RDVJYGYJBUIIOE-ZOAFEQKISA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4S,5R)-3-benzoyl-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid
    2.1.2 InChI
    InChI=1S/C24H21NO5/c1-29-19-14-12-18(13-15-19)23-25(22(26)17-10-6-3-7-11-17)20(21(30-23)24(27)28)16-8-4-2-5-9-16/h2-15,20-21,23H,1H3,(H,27,28)/t20-,21+,23?/m0/s1
    2.1.3 InChI Key
    RDVJYGYJBUIIOE-ZOAFEQKISA-N
    2.1.4 Canonical SMILES
    COC1=CC=C(C=C1)C2N(C(C(O2)C(=O)O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
    2.1.5 Isomeric SMILES
    COC1=CC=C(C=C1)C2N([C@H]([C@@H](O2)C(=O)O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 949023-16-9

    2. (4s,5r)-3-benzoyl-2-(4-methoxyphenyl)-4-phenyl-5-oxazolidinecarboxylic Acid

    3. (4s,5r)-3-benzoyl-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic Acid

    4. Schembl7071105

    5. Dtxsid40453238

    6. Amy21997

    7. Mfcd11617943

    8. (4s,5r)-3-benzoyl-2-(4-anisyl)-4-phenyl-5-oxazolidinecarboxylic Acid

    9. Akos015904212

    10. Ac-22280

    11. Ds-18606

    12. Cs-0150397

    13. F13037

    14. 617b943

    15. (4s,5r)-2-(4-methoxyphenyl)-n-benzoyl-4-phenyl-oxazolidine-5-carboxylic Acid

    16. (4s,5r)-3-benzoyl-2-(4-methoxyphenyl)-4-phenyloxazolidine-5-carboxylicacid

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 403.4 g/mol
    Molecular Formula C24H21NO5
    XLogP33.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass403.14197277 g/mol
    Monoisotopic Mass403.14197277 g/mol
    Topological Polar Surface Area76.1 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity590
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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