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    Technical details about DSSTox_CID_3508, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_3508

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    DOSSIERs // Finished Dosage Forms

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 4630-95-9, Padrin, Riabal, 3-(diphenylmethylene)-1,1-diethyl-2-methylpyrrolidin-1-ium bromide, Pyrodifenium bromide, Pyrrolidinium, 3-(diphenylmethylene)-1,1-diethyl-2-methyl-, bromide
    Molecular Formula
    C22H28BrN
    Molecular Weight
    386.4  g/mol
    InChI Key
    UCGJZJXOPSNTGZ-UHFFFAOYSA-M
    FDA UNII
    3B7O9ZC520
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-benzhydrylidene-1,1-diethyl-2-methylpyrrolidin-1-ium;bromide
    2.1.2 InChI
    InChI=1S/C22H28N.BrH/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,18H,4-5,16-17H2,1-3H3;1H/q+1;/p-1
    2.1.3 InChI Key
    UCGJZJXOPSNTGZ-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CC[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C1C)CC.[Br-]
    2.2 Other Identifiers
    2.2.1 UNII
    3B7O9ZC520
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Padrin

    2. Prifinium

    3. Pyrodifenium Bromide

    2.3.2 Depositor-Supplied Synonyms

    1. 4630-95-9

    2. Padrin

    3. Riabal

    4. 3-(diphenylmethylene)-1,1-diethyl-2-methylpyrrolidin-1-ium Bromide

    5. Pyrodifenium Bromide

    6. Pyrrolidinium, 3-(diphenylmethylene)-1,1-diethyl-2-methyl-, Bromide

    7. Prifinium (bromide)

    8. 3-(diphenylmethylene)-1-ethyl-2-methylpyrrolidine Ethyl Bromide

    9. Chebi:32052

    10. 3b7o9zc520

    11. 3-benzhydrylidene-1,1-diethyl-2-methylpyrrolidin-1-ium Bromide

    12. 3-benzhydrylidene-1,1-diethyl-2-methylpyrrolidin-1-ium;bromide

    13. Prifinio Bromuro

    14. Prifinio Bromuro [dcit]

    15. Prifinii Bromidum

    16. Bromuro De Prifinio

    17. Bromure De Prifinium

    18. Prifinium Bromide [inn:jan]

    19. Prifinii Bromidum [inn-latin]

    20. Bromure De Prifinium [inn-french]

    21. Bromuro De Prifinio [inn-spanish]

    22. Ncgc00183859-01

    23. Einecs 225-051-8

    24. Unii-3b7o9zc520

    25. Padrin (tn)

    26. 1,1-diethyl-2-methyl-3-diphenylmethylenepyrrolidinium Bromide

    27. Dsstox_cid_3508

    28. Dsstox_rid_77057

    29. Dsstox_gsid_23508

    30. Schembl24783

    31. Prifinium Bromide (jan/inn)

    32. Prifinium Bromide [mi]

    33. Prifinium Bromide [inn]

    34. Prifinium Bromide [jan]

    35. 5-fluoro-5-deoxyuridine

    36. Chembl1213353

    37. Dtxsid3023508

    38. Prifinium Bromide [mart.]

    39. Prifinium Bromide [who-dd]

    40. Tox21_113295

    41. Mfcd00865211

    42. Pyrrolidinium, 1,1-diethyl-3-diphenylmethylene-2-methyl-, Bromide

    43. Akos015896351

    44. Ds-7785

    45. Cas-4630-95-9

    46. Hy-122086

    47. Cs-0081698

    48. Ft-0657079

    49. D01377

    50. A827026

    51. A1-01943

    52. Q2109656

    53. 3-(diphenylmethylidene)-1,1-diethyl-2-methylpyrrolidinium Bromide

    54. Pyrrolidinium, 3-(diphenylmethylene)-1,1-diethyl-2-methyl-, Bromide (1:1)

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 386.4 g/mol
    Molecular Formula C22H28BrN
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count4
    Exact Mass385.14051 g/mol
    Monoisotopic Mass385.14051 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity386
    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

    A03AB18 - Prifinium bromide

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