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    Thiphenamil

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: Thiphenamil hcl, 548-68-5, Thiphenamil hydrochloride [usan], Tifenamil hydrochloride, 4oq4sp44r2, Thiphen
    Molecular Formula
    C20H26ClNOS
    Molecular Weight
    363.9  g/mol
    InChI Key
    MZWKCFGWAWRHDY-UHFFFAOYSA-N
    FDA UNII
    4OQ4SP44R2
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride
    2.1.2 InChI
    InChI=1S/C20H25NOS.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H
    2.1.3 InChI Key
    MZWKCFGWAWRHDY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCN(CC)CCSC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    4OQ4SP44R2
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. S-(2-(diethylamino)ethyl)diphenylthioacetate

    2. Thiphen

    3. Thiphenamil

    4. Tifen

    5. Tifenamil

    6. Trocinate

    2.3.2 Depositor-Supplied Synonyms

    1. Thiphenamil Hcl

    2. 548-68-5

    3. Thiphenamil Hydrochloride [usan]

    4. Tifenamil Hydrochloride

    5. 4oq4sp44r2

    6. Thiphen

    7. Trocinat

    8. Trocinate

    9. Tiphen

    10. Tifen

    11. Trocinate Hydrochloride

    12. Thiphenamil Hydrochloride (usan)

    13. S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride

    14. Einecs 208-955-7

    15. Unii-4oq4sp44r2

    16. 2-(diethylamino)ethyl Diphenylthioacetate Hydrochloride

    17. Beta-diethylaminoethyl Diphenylthioacetate Hydrochloride

    18. S-(2-(diethylamino)ethyl) Diphenylthioacetate Hydrochloride

    19. Diphenylthiolacetic Acid 2-diethylaminoethyl Ester Hydrochloride

    20. 2-diethylaminoethylester Kyseliny Difenylthiooctove Hydrochlorid [czech]

    21. Schembl123518

    22. Chembl2107552

    23. Dtxsid30203284

    24. 4-bromomethylbenzoylchloride

    25. 2-diethylaminoethylester Kyseliny Difenylthiooctove Hydrochlorid

    26. Thiphenamil Hydrochloride [mi]

    27. S-(2-(diethylamino)ethyl) Alpha-phenylbenzeneethanethioate Hydrochloride

    28. Acetic Acid, Diphenylthio-, S-(2-(diethylamino)ethyl) Ester, Hydrochloride

    29. Benzeneethanethioic Acid, Alpha-phenyl-, S-(2-(diethylamino)ethyl) Ester Hydrochloride

    30. D06112

    31. Q27260300

    32. S-(2-(diethylamino)ethyl)diphenylthioacetate Hydrochloride

    33. S-[2-(diethylamino)ethyl]alpha-phenylbenzeneethanethioate Hydrochloride

    34. Benzeneethanethioic Acid, .alpha.-phenyl-, S-(2-(diethylamino)ethyl) Ester Hydrochloride

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 363.9 g/mol
    Molecular Formula C20H26ClNOS
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count9
    Exact Mass363.1423633 g/mol
    Monoisotopic Mass363.1423633 g/mol
    Topological Polar Surface Area45.6 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity313
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2