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    Homatropine Hydrobromide

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    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
    1 2D Structure

    2D Structure

    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