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    Chemistry

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    Also known as: Propinox, 13479-13-5, Pargeverine [inn], Pargeverine hcl, Pargeverin, Viadil
    Molecular Formula
    C21H23NO3
    Molecular Weight
    337.4  g/mol
    InChI Key
    QNPHCSSJLHAKSA-UHFFFAOYSA-N
    FDA UNII
    UC61HM8FX0
    Pargeverine
    1 2D Structure

    Pargeverine

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate
    2.1.2 InChI
    InChI=1S/C21H23NO3/c1-4-16-25-21(18-11-7-5-8-12-18,19-13-9-6-10-14-19)20(23)24-17-15-22(2)3/h1,5-14H,15-17H2,2-3H3
    2.1.3 InChI Key
    QNPHCSSJLHAKSA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OCC#C
    2.2 Other Identifiers
    2.2.1 UNII
    UC61HM8FX0
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Propinox

    2. Propinoxate

    2.3.2 Depositor-Supplied Synonyms

    1. Propinox

    2. 13479-13-5

    3. Pargeverine [inn]

    4. Pargeverine Hcl

    5. Pargeverin

    6. Viadil

    7. 2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate

    8. Uc61hm8fx0

    9. Diphenyl(2-propynyloxy)acetic Acid 2-(dimethylamino)ethyl Ester

    10. Pargeverine (inn)

    11. 2-(dimethylamino)ethyl Diphenyl(2-propynyloxy)acetate

    12. Terisal

    13. Acetic Acid, Diphenyl(2-propynyloxy)-, 2-(dimethylamino)ethyl Ester

    14. Pargeverina

    15. Pargeverinum

    16. Pargeverinum [inn-latin]

    17. Pargeverina [inn-spanish]

    18. Be 50

    19. Ncgc00164558-01

    20. Unii-uc61hm8fx0

    21. Brn 2226014

    22. Viadil (tn)

    23. Pargevarine Hcl

    24. Benzeneacetic Acid, Alpha-phenyl-alpha-(2-propynyloxy)-, 2-(dimethylamino)ethyl Ester

    25. Pargeverine [who-dd]

    26. Schembl2111437

    27. Chembl1872101

    28. Dtxsid1048386

    29. Chebi:135433

    30. Zinc2019610

    31. D07466

    32. Q27291011

    33. Benzeneacetic Acid, .alpha.-phenyl-.alpha.-(2-propynyloxy)-, 2-(dimethylamino)ethyl Ester

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 337.4 g/mol
    Molecular Formula C21H23NO3
    XLogP33.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count9
    Exact Mass337.16779360 g/mol
    Monoisotopic Mass337.16779360 g/mol
    Topological Polar Surface Area38.8 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity435
    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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    19-Feb-2021
    24-Aug-2024
    KGS
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