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    Technical details about CAS 162358-09-0, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 162358-09-0

    Manufacturers/Suppliers

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 162358-09-0, 2-acetamido-2-(4-octylphenethyl)propane-1,3-diyl diacetate, Acetamide, n-[1,1-bis[(acetyloxy)methyl]-3-(4-octylphenyl)propyl]-, [2-acetamido-2-(acetyloxymethyl)-4-(4-octylphenyl)butyl] acetate, 2-acetamido-2-(4-octylphenethyl)-propane-1,3-diyl diacetate, Schembl4917300
    Molecular Formula
    C25H39NO5
    Molecular Weight
    433.6  g/mol
    InChI Key
    GNDIBYIKXCMJGO-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [2-acetamido-2-(acetyloxymethyl)-4-(4-octylphenyl)butyl] acetate
    2.1.2 InChI
    InChI=1S/C25H39NO5/c1-5-6-7-8-9-10-11-23-12-14-24(15-13-23)16-17-25(26-20(2)27,18-30-21(3)28)19-31-22(4)29/h12-15H,5-11,16-19H2,1-4H3,(H,26,27)
    2.1.3 InChI Key
    GNDIBYIKXCMJGO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCC1=CC=C(C=C1)CCC(COC(=O)C)(COC(=O)C)NC(=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 162358-09-0

    2. 2-acetamido-2-(4-octylphenethyl)propane-1,3-diyl Diacetate

    3. Acetamide, N-[1,1-bis[(acetyloxy)methyl]-3-(4-octylphenyl)propyl]-

    4. [2-acetamido-2-(acetyloxymethyl)-4-(4-octylphenyl)butyl] Acetate

    5. 2-acetamido-2-(4-octylphenethyl)-propane-1,3-diyl Diacetate

    6. Schembl4917300

    7. Dtxsid50442936

    8. Amy22206

    9. Bcp14873

    10. Zinc72399458

    11. Acetamide, N-[1,1-bis[(acetyloxy)

    12. Akos016003565

    13. Ac-25900

    14. Da-18761

    15. Cs-0166483

    16. Ft-0663175

    17. A882962

    18. 2-acetamido-2-(4-octylphenethyl)propane-1,3-diyldiacetate

    19. 2-acetamido-2-acetoxymethyl-4-(4-octylphenyl)butyl Acetate

    20. Acetamide,n-(1,1-bis((acetyloxy)methyl)-3-(4-octylphenyl)propyl)-

    21. 2-acetamido-2-(4-octylphenethyl)propane-1,3-diyl Diacetate (fingolimod Impurity

    22. 2-acetamido-2-[(acetyloxy)methyl]-4-(4-octylphenyl)butyl Acetate (non-preferred Name)

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 433.6 g/mol
    Molecular Formula C25H39NO5
    XLogP35.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count17
    Exact Mass433.28282334 g/mol
    Monoisotopic Mass433.28282334 g/mol
    Topological Polar Surface Area81.7 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity522
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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