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    CAS 37743-18-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 37743-18-3, (3,3-diphenyldihydrofuran-2-ylidine)-dimethylammonium bromide, (3,3-diphenyloxolan-2-ylidene)-dimethylazanium;bromide, (3,3-diphenyldihydrofuran-2-ylidine)dimethylammoniumbromide, Dihydro-n,n-dimethyl-3,3-diphenyl-2(3h)-furaniminium bromide, Dimethyl(tetrahydro-3,3-diphenyl-2-furylidene)ammonium bromide
    Molecular Formula
    C18H20BrNO
    Molecular Weight
    346.3  g/mol
    InChI Key
    QJPXLCQSAFQCBD-UHFFFAOYSA-M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3,3-diphenyloxolan-2-ylidene)-dimethylazanium;bromide
    2.1.2 InChI
    InChI=1S/C18H20NO.BrH/c1-19(2)17-18(13-14-20-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1
    2.1.3 InChI Key
    QJPXLCQSAFQCBD-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    C[N+](=C1C(CCO1)(C2=CC=CC=C2)C3=CC=CC=C3)C.[Br-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 37743-18-3

    2. (3,3-diphenyldihydrofuran-2-ylidine)-dimethylammonium Bromide

    3. (3,3-diphenyloxolan-2-ylidene)-dimethylazanium;bromide

    4. (3,3-diphenyldihydrofuran-2-ylidine)dimethylammoniumbromide

    5. Dihydro-n,n-dimethyl-3,3-diphenyl-2(3h)-furaniminium Bromide

    6. Dimethyl(tetrahydro-3,3-diphenyl-2-furylidene)ammonium Bromide

    7. Dimethyl-(tetrahydro-3,3-diphenyl-2-furilidine)ammonium Bromide

    8. 5-(dimethylamino)-4,4-diphenyl-3,4-dihydro-2h-furan-1-ium Bromide

    9. Mfcd02093792

    10. Methanaminium,n-(dihydro-3,3-diphenyl-2(3h)-furanylidene)-n-methyl-, Bromide

    11. (dihydro-3,3-diphenyl-3h-furan-2-ylidene)dimethylammonium Bromide

    12. Loperamide Impurity

    13. Einecs 253-649-9

    14. Mls006010009

    15. Schembl461361

    16. (3,3-diphenyloxolan-2-ylidene)-dimethylazanium,bromide

    17. Dtxsid80958777

    18. Akos005254480

    19. As-12330

    20. Smr004701090

    21. Db-017956

    22. Cs-0451890

    23. Ft-0639403

    24. A924213

    25. W-106517

    26. Dimethyl (tetrahydro-3,3-diphenyl-2-furylidene)ammonium Bromide

    27. Dimethyl-(tetrahydro-3,3-diphenyl-2-furylidene)ammonium Bromide

    28. Dimethyl (tetrahydro-3,3-diphenyl-2-furylidene) Ammonium Bromide

    29. Dimethyl(tetrahydro-3,3-diphenyl-2-furylidene)ammonium Bromide Salt

    30. N-(3,3-diphenylfuran-2(3h)-ylidene)-n-methylmethanaminium Bromide

    31. N-(dihydro-3,3-diphenyl-2(3h)-furanylidene)-n-methylmethanaminium Bromide

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 346.3 g/mol
    Molecular Formula C18H20BrNO
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass345.07283 g/mol
    Monoisotopic Mass345.07283 g/mol
    Topological Polar Surface Area12.2 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity340
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2