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    Tiemonium Methylsulfate

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 28Xls

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    2D Structure
    Also known as: 6504-57-0, Visceralgine (tn), 8pyn0uzm30, 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol;methyl sulfate, 4-(3-hydroxy-3-phenyl-3-(thiophen-2-yl)propyl)-4-methylmorpholin-4-ium methyl sulfate, Unii-8pyn0uzm30
    Molecular Formula
    C19H27NO6S2
    Molecular Weight
    429.6  g/mol
    InChI Key
    JPOKDEDHVLJMIJ-UHFFFAOYSA-M
    FDA UNII
    8PYN0UZM30
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol;methyl sulfate
    2.1.2 InChI
    InChI=1S/C18H24NO2S.CH4O4S/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16;1-5-6(2,3)4/h2-8,15,20H,9-14H2,1H3;1H3,(H,2,3,4)/q+1;/p-1
    2.1.3 InChI Key
    JPOKDEDHVLJMIJ-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    C[N+]1(CCOCC1)CCC(C2=CC=CC=C2)(C3=CC=CS3)O.COS(=O)(=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    8PYN0UZM30
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ottimal

    2.3.2 Depositor-Supplied Synonyms

    1. 6504-57-0

    2. Visceralgine (tn)

    3. 8pyn0uzm30

    4. 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol;methyl Sulfate

    5. 4-(3-hydroxy-3-phenyl-3-(thiophen-2-yl)propyl)-4-methylmorpholin-4-ium Methyl Sulfate

    6. Unii-8pyn0uzm30

    7. 4-[3-hydroxy-3-phenyl-3-(thiophen-2-yl)propyl]-4-methylmorpholin-4-ium Methyl Sulfate

    8. Einecs 229-386-0

    9. Tiemonio Metilsolfato

    10. Tiemonium Methylsulphate

    11. Metilsulfato De Tiemonio

    12. Methylsulfate De Tiemonium

    13. 4-(3-hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methylmorpholinium, Methyl Sulfate (salt)

    14. Tiemonium Methyl Sulfate

    15. Schembl1308366

    16. Dtxsid40983580

    17. Tiemonium Mesilate [who-dd]

    18. Tiemonium Methylsulphate [who-dd]

    19. D08595

    20. Q27270876

    21. 4-(3-hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methylmorpholinium Methyl Sulphate

    22. 4-(3-hydroxy-3-phenyl-3-(thiophen-2-yl)propyl)-4-methylmorpholin-4-iummethylsulfate

    23. Morpholinium, 4-(3-hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methyl-, Methyl Sulfate (1:1)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 429.6 g/mol
    Molecular Formula C19H27NO6S2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass429.12797993 g/mol
    Monoisotopic Mass429.12797993 g/mol
    Topological Polar Surface Area133 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity444
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2