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    Tiquizium Bromide

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 71731-58-3, Thiaton, Tiquizii bromidum, Bromuro de tiquizio, Hsr-902, Bromure de tiquizium
    Molecular Formula
    C19H24BrNS2
    Molecular Weight
    410.4  g/mol
    InChI Key
    VKBNGRDAHSELMQ-KYSFMIDTSA-M
    FDA UNII
    659K6049SF
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (5R,9aR)-7-(dithiophen-2-ylmethylidene)-5-methyl-1,2,3,4,6,8,9,9a-octahydroquinolizin-5-ium;bromide
    2.1.2 InChI
    InChI=1S/C19H24NS2.BrH/c1-20-11-3-2-6-16(20)10-9-15(14-20)19(17-7-4-12-21-17)18-8-5-13-22-18;/h4-5,7-8,12-13,16H,2-3,6,9-11,14H2,1H3;1H/q+1;/p-1/t16-,20-;/m1./s1
    2.1.3 InChI Key
    VKBNGRDAHSELMQ-KYSFMIDTSA-M
    2.1.4 Canonical SMILES
    C[N+]12CCCCC1CCC(=C(C3=CC=CS3)C4=CC=CS4)C2.[Br-]
    2.1.5 Isomeric SMILES
    C[N@+]12CCCC[C@@H]1CCC(=C(C3=CC=CS3)C4=CC=CS4)C2.[Br-]
    2.2 Other Identifiers
    2.2.1 UNII
    659K6049SF
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-(di-2-thienylmethylene)-5-methyl-trans-quinolizidinium Bromide

    2. Hsr 902

    3. Hsr-902

    4. Thiaton

    2.3.2 Depositor-Supplied Synonyms

    1. 71731-58-3

    2. Thiaton

    3. Tiquizii Bromidum

    4. Bromuro De Tiquizio

    5. Hsr-902

    6. Bromure De Tiquizium

    7. 3-(di-2-thienylmethylene)-5-methyl-trans-quinolizidinium Bromide

    8. 659k6049sf

    9. 3-(di(2-thienyl)methylene)-5-methyldecahydroquinolizinium Bromide

    10. Trans-3-(di-2-thienylmethylene)octahydro-5-methyl-2h-quinolizinium Bromide

    11. (5r,9ar)-7-(dithiophen-2-ylmethylidene)-5-methyl-1,2,3,4,6,8,9,9a-octahydroquinolizin-5-ium;bromide

    12. Gastirol

    13. 2h-quinolizinium, 3-(di-2-thienylmethylene)octahydro-5-methyl-,bromide, (5r,9ar)-rel-

    14. Advaston

    15. Breiful

    16. Thiameron

    17. Tiapaston

    18. Aspora

    19. Thiwan

    20. Tiquizium Bromide [inn:jan]

    21. Tiquizii Bromidum [inn-latin]

    22. Unii-659k6049sf

    23. Hsr 902

    24. Bromure De Tiquizium [inn-french]

    25. Bromuro De Tiquizio [inn-spanish]

    26. Thiaton (tn)

    27. Ncgc00167984-01

    28. Dithienylmethylene Methyl Trans-quinolizidinium

    29. Dsstox_cid_26757

    30. Dsstox_rid_81881

    31. Dsstox_gsid_46757

    32. Schembl24151

    33. Mls006010103

    34. Tiquizium Bromide (jan/inn)

    35. Tiquizium Bromide [mi]

    36. Tiquizium Bromide [inn]

    37. Tiquizium Bromide [jan]

    38. Chembl2360047

    39. Dtxsid2046757

    40. Chebi:32232

    41. Tiquizium Bromide [mart.]

    42. Tiquizium Bromide [who-dd]

    43. Tox21_112604

    44. Akos025311222

    45. Smr004701242

    46. Cas-71731-58-3

    47. D01875

    48. Q27263861

    49. (5r)-3-(dithiophen-2-ylmethylene)-5-methyldecahydroquinolizinium Bromide

    50. (+/-)-trans-3-(di-2-thienylmethylene)octahydro-5-methyl-2h-quinolizinium Bromide

    51. (5r,9ar)-3-[di(thiophen-2-yl)methylidene]-5-methyloctahydro-2h-quinolizin-5-ium Bromide

    52. (5r,9ar)-3-[di(thiophen-2-yl)methylidene]-5-methyloctahydro-2h-quinolizinium Bromide

    53. Quinolizinium, Decahydro-3-(di(2-thienyl)methylene)-5-methyl-, Bromide, (e)-

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 410.4 g/mol
    Molecular Formula C19H24BrNS2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass409.05335 g/mol
    Monoisotopic Mass409.05335 g/mol
    Topological Polar Surface Area56.5 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity429
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2