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    Chemistry

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    Also known as: 51-56-9, Tropine mandelate hydrobromide, Sr-01000075900, Alpha-hydroxybenzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester hydrobromide, Homatropinhydrobromid, Endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-2-phenylacetate hydrobromide
    Molecular Formula
    C16H22BrNO3
    Molecular Weight
    356.25  g/mol
    InChI Key
    DWSGTFTVBLXELC-UHFFFAOYSA-N
    Homatropine Hydrobromide
    1 2D Structure

    Homatropine Hydrobromide

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate;hydrobromide
    2.1.2 InChI
    InChI=1S/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H
    2.1.3 InChI Key
    DWSGTFTVBLXELC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O.Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 51-56-9

    2. Tropine Mandelate Hydrobromide

    3. Sr-01000075900

    4. Alpha-hydroxybenzeneacetic Acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl Ester Hydrobromide

    5. Homatropinhydrobromid

    6. Endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-2-phenylacetate Hydrobromide

    7. Schembl41951

    8. Tox21_500592

    9. Akos015964977

    10. Akos015998946

    11. Ac-1694

    12. Ccg-208522

    13. Lp00592

    14. Ncgc00093971-01

    15. Ncgc00093971-02

    16. Ncgc00093971-03

    17. Ncgc00094693-01

    18. Ncgc00094693-02

    19. Ncgc00261277-01

    20. Db-022458

    21. Eu-0100592

    22. Ft-0603222

    23. H 0126

    24. Q4142891

    25. Sr-01000075900-1

    26. Sr-01000075900-7

    27. Homatropine Hydrobromide, European Pharmacopoeia (ep) Reference Standard

    28. Endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl-2-hydroxy-2-phenylacetate Hydrobromide

    29. Homatropine Hydrobromide, United States Pharmacopeia (usp) Reference Standard

    2.3 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 356.25 g/mol
    Molecular Formula C16H22BrNO3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass355.07831 g/mol
    Monoisotopic Mass355.07831 g/mol
    Topological Polar Surface Area49.8 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity340
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count3
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    API Reference Price

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