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    M2i Group Cimetropium Bromide

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    Cimetropium Bromide

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: Alginor, 51598-60-8, Cimetropium bromide [inn], 0c7m5we60q, Da-3177, [(1s,2s,4r,5r)-9-(cyclopropylmethyl)-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2s)-3-hydroxy-2-phenylpropanoate;bromide
    Molecular Formula
    C21H28BrNO4
    Molecular Weight
    438.4  g/mol
    InChI Key
    WDURTRGFUGAJHA-HNHWXVNLSA-M
    FDA UNII
    0C7M5WE60Q
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(1R,2R,4S,5S)-9-(cyclopropylmethyl)-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;bromide
    2.1.2 InChI
    InChI=1S/C21H28NO4.BrH/c1-22(11-13-7-8-13)17-9-15(10-18(22)20-19(17)26-20)25-21(24)16(12-23)14-5-3-2-4-6-14;/h2-6,13,15-20,23H,7-12H2,1H3;1H/q+1;/p-1/t15?,16-,17-,18+,19-,20+,22?;/m1./s1
    2.1.3 InChI Key
    WDURTRGFUGAJHA-HNHWXVNLSA-M
    2.1.4 Canonical SMILES
    C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)CC5CC5.[Br-]
    2.1.5 Isomeric SMILES
    C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)CC5CC5.[Br-]
    2.2 Other Identifiers
    2.2.1 UNII
    0C7M5WE60Q
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cimetropium

    2. Da 3177

    3. Da-3177

    4. Scopolamine N-(cyclopropylmethyl)bromide

    2.3.2 Depositor-Supplied Synonyms

    1. Alginor

    2. 51598-60-8

    3. Cimetropium Bromide [inn]

    4. 0c7m5we60q

    5. Da-3177

    6. [(1s,2s,4r,5r)-9-(cyclopropylmethyl)-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2s)-3-hydroxy-2-phenylpropanoate;bromide

    7. Cimetropii Bromidum

    8. Bromuro De Cimetropio

    9. Bromure De Cimetropium

    10. Cimetropii Bromidum [latin]

    11. Unii-0c7m5we60q

    12. Bromure De Cimetropium [french]

    13. Bromuro De Cimetropio [spanish]

    14. Schembl26842

    15. Chembl2105977

    16. Cimetropium Bromide [mi]

    17. Cimetropium Bromide [jan]

    18. Cimetropium Bromide [mart.]

    19. Cimetropium Bromide [who-dd]

    20. Hy-u00106

    21. Cs-7142

    22. Da 3177

    23. 8-(cyclopropylmethyl)-6beta,7beta-epoxy-3alpha-((s)-tropoyl)-1alphah,5alphah-tropanium Bromid

    24. 8-(cyclopropylmethyl)-6beta,7beta-epoxy-3alpha-hydroxy-1alphah,5alphah-tropanium Bromide, (-)-(s)-tropate

    25. N-cyclopropylmethylscopolamine Bromide

    26. (7(s)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.))-9-(cyclopropylmethyl)-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-3-oxa-9-azoniatricyclo(3.3.1.0(sup 2,4))nonane Bromide

    27. (7(s)-(1alpha,2beta,4beta,5alpha,7beta))-9-(cyclopropylmethyl)-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-3-oxa-9-azoniatricyclo(3.3.1.0(sup 2,4))nonane Bromide

    28. 3-oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane, 9-(cyclopropylmethyl)-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-, Bromide, (7(s)-(1alpha,2beta,4beta,5alpha,7beta))-

    29. 3-oxa-9-azoniatricyclo(3.3.1.02,4)nonane, 9-(cyclopropylmethyl)-7-((2s)-3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-, Bromide (1:1), (1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)-

    2.4 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 438.4 g/mol
    Molecular Formula C21H28BrNO4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count7
    Exact Mass437.12017 g/mol
    Monoisotopic Mass437.12017 g/mol
    Topological Polar Surface Area59.1 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity538
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Parasympatholytics

    Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS. (See all compounds classified as Parasympatholytics.)

    4.2 ATC Code

    A - Alimentary tract and metabolism

    A03 - Drugs for functional gastrointestinal disorders

    A03B - Belladonna and derivatives, plain

    A03BB - Belladonna alkaloids, semisynthetic, quaternary ammonium compounds

    A03BB05 - Cimetropium bromide