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    Mecetronium Ethylsulfate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: Mecetronium etilsulfate, 3006-10-8, N-ethyl-n,n-dimethylhexadecan-1-aminium ethyl sulfate, Mecetronium etilsulphate, Mecetronium ethylsulphate, Qm95lpv3ca
    Molecular Formula
    C22H49NO4S
    Molecular Weight
    423.7  g/mol
    InChI Key
    UUHBNESUDPIHCI-UHFFFAOYSA-M
    FDA UNII
    QM95LPV3CA
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl-hexadecyl-dimethylazanium;ethyl sulfate
    2.1.2 InChI
    InChI=1S/C20H44N.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;1-2-6-7(3,4)5/h5-20H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
    2.1.3 InChI Key
    UUHBNESUDPIHCI-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCCCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    QM95LPV3CA
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ethylhexadecyldimethylammonium

    2. Mecetronium Ethylsulphate

    3. Mecetronium Etilsulfate

    4. Sterillium

    2.3.2 Depositor-Supplied Synonyms

    1. Mecetronium Etilsulfate

    2. 3006-10-8

    3. N-ethyl-n,n-dimethylhexadecan-1-aminium Ethyl Sulfate

    4. Mecetronium Etilsulphate

    5. Mecetronium Ethylsulphate

    6. Qm95lpv3ca

    7. Cetylethyldimonium Ethosulfate

    8. Cetyl-ethyldimonium Ethosulfate

    9. Ethylhexadecyldimethylammonium Ethyl Sulfate

    10. Mecetronium Etilsulfate [inn]

    11. 1-hexadecanaminium, N-ethyl-n,n-dimethyl-, Ethyl Sulfate

    12. Ethyl-hexadecyl-dimethylazanium;ethyl Sulfate

    13. Mecetronium Ethylsulfate [usan]

    14. Cetyl Ethyldimonium Ethosulfate

    15. Mecetronii Etilsulfas

    16. Etilsulfato De Mecetronio

    17. Etilsulfate De Mecetronium

    18. Mecetronium Ethyl Sulfate

    19. Ethyl-hexadecyl-dimethylazanium,ethyl Sulfate

    20. Unii-qm95lpv3ca

    21. Mecetronii Etilsulfas [latin]

    22. Schembl125030

    23. Chembl2106839

    24. Dtxsid60883932

    25. 1-hexadecanaminium, N-ethyl-n,n-dimethyl-, Ethyl Sulfate (1:1)

    26. Etilsulfate De Mecetronium [french]

    27. Etilsulfato De Mecetronio [spanish]

    28. Einecs 221-106-5

    29. Mecetronium Ethylsulfate (usan/inn)

    30. Mecetronium Etilsulfate [mart.]

    31. Cetyl-ethyl-dimethyl-ammonium Ethosulfat

    32. Mecetronium Etilsulfate [who-dd]

    33. Cetyl Ethyldimonium Ethosulfate [inci]

    34. D04871

    35. F72123

    36. Q-201342

    37. Hexadecyl(ethyl)dimethylammonium Ethyl Sulfate

    38. Q15632826

    39. Mecetronium Ethylsulfate, Antibiotic For Culture Media Use Only

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 423.7 g/mol
    Molecular Formula C22H49NO4S
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count17
    Exact Mass423.33823022 g/mol
    Monoisotopic Mass423.33823022 g/mol
    Topological Polar Surface Area74.8 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity302
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2