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    Timepidium Bromide

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    PharmaCompass
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    2D Structure
    Also known as: 35035-05-3, Sesden; sa504, Sa504, Sa-504, Chebi:32226, Sa 504
    Molecular Formula
    C17H22BrNOS2
    Molecular Weight
    400.4  g/mol
    InChI Key
    QTSXMEPZSHLZFF-UHFFFAOYSA-M
    FDA UNII
    8R9E4766V4
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(dithiophen-2-ylmethylidene)-5-methoxy-1,1-dimethylpiperidin-1-ium;bromide
    2.1.2 InChI
    InChI=1S/C17H22NOS2.BrH/c1-18(2)11-13(10-14(12-18)19-3)17(15-6-4-8-20-15)16-7-5-9-21-16;/h4-9,14H,10-12H2,1-3H3;1H/q+1;/p-1
    2.1.3 InChI Key
    QTSXMEPZSHLZFF-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    C[N+]1(CC(CC(=C(C2=CC=CS2)C3=CC=CS3)C1)OC)C.[Br-]
    2.2 Other Identifiers
    2.2.1 UNII
    8R9E4766V4
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-methoxy-3-(1-methylpiperidylidene)di-(2-thienyl)methane Methobromide

    2. Sa-504

    2.3.2 Depositor-Supplied Synonyms

    1. 35035-05-3

    2. Sesden; Sa504

    3. Sa504

    4. Sa-504

    5. Chebi:32226

    6. Sa 504

    7. 8r9e4766v4

    8. 3-(di-2-thienylmethylene)-5-methoxy-1,1-dimethyl-piperidinium Bromide

    9. Dsstox_cid_3672

    10. 3-(dithiophen-2-ylmethylidene)-5-methoxy-1,1-dimethylpiperidin-1-ium;bromide

    11. Dsstox_rid_77138

    12. Dsstox_gsid_23672

    13. Timepidium Bromide [inn:jan]

    14. Timepidii Bromidum

    15. Bromuro De Timepidio

    16. Cas-35035-05-3

    17. Bromure De Timepidium

    18. Timepidii Bromidum [inn-latin]

    19. Sa 50 Y

    20. Ncgc00181009-01

    21. Bromure De Timepidium [inn-french]

    22. Bromuro De Timepidio [inn-spanish]

    23. Unii-8r9e4766v4

    24. N-methyl-5-methoxy-3-piperidylidenedithienylmethane Methobromide

    25. 1,1-dimethyl-5-methoxy-3-(dithien-2-ylmethylene)-piperidinium Bromide

    26. Piperidinium, 3-(di-2-thienylmethylene)-5-methoxy-1,1-dimethyl-, Bromide

    27. Timepidium Bromide Anhydrous

    28. Schembl249151

    29. Timepidium Bromide [mi]

    30. Chembl2107574

    31. Dtxsid4023672

    32. Timepidium Bromide [inn]

    33. Timepidium Bromide [mart.]

    34. Timepidium Bromide [who-dd]

    35. Tox21_112659

    36. Hy-u00184

    37. 3-(dithiophen-2-ylmethylidene)-5-methoxy-1,1-dimethylpiperidin-1-ium Bromide

    38. Akos025401441

    39. Tox21_112659_1

    40. Ac-1667

    41. Cs-7261

    42. Ncgc00181009-02

    43. Ft-0729919

    44. A822507

    45. Q7806492

    46. 3-(di-2-thienylmethylidene)-1,1-dimethyl-5-(methyloxy)piperidinium Bromide

    47. 3-(dithiophen-2-ylmethylene)-5-methoxy-1,1-dimethylpiperidinium Bromide

    48. 3-(dithiophen-2-ylmethylidene)-5-methoxy-1,1-dimethyl-piperidin-1-ium Bromide

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 400.4 g/mol
    Molecular Formula C17H22BrNOS2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass399.03262 g/mol
    Monoisotopic Mass399.03262 g/mol
    Topological Polar Surface Area65.7 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity390
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    A - Alimentary tract and metabolism

    A03 - Drugs for functional gastrointestinal disorders

    A03A - Drugs for functional gastrointestinal disorders

    A03AB - Synthetic anticholinergics, quaternary ammonium compounds

    A03AB19 - Timepidium bromide