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    Technical details about Prestwick2_001054, learn more about the structure, uses, toxicity, action, side effects and more

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    Prestwick2_001054

    DOSSIERs // Finished Dosage Forms

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: Levopropoxyphennapsilat, Prestwick0_001054, Prestwick1_001054, Prestwick2_001054, Prestwick3_001054, Bspbio_001008
    Molecular Formula
    C32H37NO5S
    Molecular Weight
    547.7  g/mol
    InChI Key
    VZPXFHVJUUSVLH-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;naphthalene-2-sulfonic acid
    2.1.2 InChI
    InChI=1S/C22H29NO2.C10H8O3S/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h6-15,18H,5,16-17H2,1-4H3;1-7H,(H,11,12,13)
    2.1.3 InChI Key
    VZPXFHVJUUSVLH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Levopropoxyphennapsilat

    2. Prestwick0_001054

    3. Prestwick1_001054

    4. Prestwick2_001054

    5. Prestwick3_001054

    6. Bspbio_001008

    7. Spbio_002934

    8. Bpbio1_001110

    9. Chembl4303291

    10. Chebi:94397

    11. Hms1571c10

    12. Hms2098c10

    13. Hms3715c10

    14. Ccg-221054

    15. Ncgc00180923-01

    16. Sr-01000872689

    17. Sr-01000872689-1

    18. Q27166247

    19. [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] Propanoate;naphthalene-2-sulfonic Acid

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 547.7 g/mol
    Molecular Formula C32H37NO5S
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count10
    Exact Mass547.23924445 g/mol
    Monoisotopic Mass547.23924445 g/mol
    Topological Polar Surface Area92.3 Ų
    Heavy Atom Count39
    Formal Charge0
    Complexity688
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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