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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

    API Reference Price

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    06-Jan-2021
    09-Aug-2024
    KGS
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