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    Dimethyldioctadecylammonium

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 186Xls

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    2D Structure
    Also known as: 3700-67-2, N,n-dimethyl-n-octadecyloctadecan-1-aminium bromide, 1-octadecanaminium, n,n-dimethyl-n-octadecyl-, bromide, Dimethyl(dioctadecyl)azanium;bromide, Distearyldimethylammonium bromide, Distearyl dimethyl ammonium bromide
    Molecular Formula
    C38H80BrN
    Molecular Weight
    631.0  g/mol
    InChI Key
    PSLWZOIUBRXAQW-UHFFFAOYSA-M
    FDA UNII
    Z5T47R065A
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    dimethyl(dioctadecyl)azanium;bromide
    2.1.2 InChI
    InChI=1S/C38H80N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1
    2.1.3 InChI Key
    PSLWZOIUBRXAQW-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-]
    2.2 Other Identifiers
    2.2.1 UNII
    Z5T47R065A
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-octadecanaminium, N,n-dimethyl-n-octadecyl-

    2. Ddbas Compound

    3. Dimethyl-dioctadecyl-ammonium Bromide

    4. Dimethyldioctadecylammonium

    5. Dimethyldioctadecylammonium Chloride

    6. Dimethyldioctadecylammonium Methyl Sulfate

    7. Dimethyldioctadecylammonium Sulfate

    8. Dimethyldistearylammonium

    9. Dimethyldistearylammonium Bisulfate

    10. Dimethyldistearylammonium Bromide

    11. Dioctadecyl Dimethylammonium Bromide

    12. Dioctadecyldimethylammonium

    13. Dioctadecyldimethylammonium Chloride

    14. Dioctadecyldimethylammonium Ion

    15. Distearyl Dimethyl Ammonium Bromide

    16. Distearyldimethylammonium

    17. Distearyldimethylammonium Bromide

    18. Distearyldimonium

    19. Distearyldimonium Chloride

    20. Dodab

    21. Dsdac Cpd

    2.3.2 Depositor-Supplied Synonyms

    1. 3700-67-2

    2. N,n-dimethyl-n-octadecyloctadecan-1-aminium Bromide

    3. 1-octadecanaminium, N,n-dimethyl-n-octadecyl-, Bromide

    4. Dimethyl(dioctadecyl)azanium;bromide

    5. Distearyldimethylammonium Bromide

    6. Distearyl Dimethyl Ammonium Bromide

    7. Dioctadecyldimethylammonium Bromide

    8. Z5t47r065a

    9. 1-octadecanaminium, N,n-dimethyl-n-octadecyl-, Bromide (1:1)

    10. Dimethyldistearylammonium Bromide

    11. Dsab

    12. Einecs 223-037-6

    13. Mfcd00041975

    14. Unii-z5t47r065a

    15. Dimethyldioctadecylazanium Bromide

    16. Dsdmab

    17. Schembl25636

    18. Distearyldimonium Bromide

    19. Dtxsid60884005

    20. Dimethyl-dioctadecyl-azanium Bromide

    21. Dimethyldioctadecylammonium (bromide)

    22. Di-n-octadecyldimethylammonium Bromide

    23. Akos015833037

    24. As-62181

    25. Da-17512

    26. N,n-distearyl-n,n-dimethylammonium Bromide

    27. Bis(octadecyl)dimethylammonium Bromide

    28. Cs-0128789

    29. D1975

    30. Ft-0625134

    31. D89966

    32. W-106572

    33. Q27295043

    34. 18:0 Ddab, Dimethyldioctadecylammonium (bromide Salt), Powder

    35. 18:0 Ddab, Dimethyldioctadecylammonium (bromide Salt), Chloroform

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 631.0 g/mol
    Molecular Formula C38H80BrN
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count34
    Exact Mass629.54741 g/mol
    Monoisotopic Mass629.54741 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count40
    Formal Charge0
    Complexity391
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Surface-Active Agents

    Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics. (See all compounds classified as Surface-Active Agents.)

    Adjuvants, Immunologic

    Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity. (See all compounds classified as Adjuvants, Immunologic.)

    Anti-Infective Agents

    Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)