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    Trimethyltetradecylammonium

    PharmaCompass
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    2D Structure
    Also known as: 10182-92-0, Cetrimide, Tetradecyltrimethylammonium, Trimethyl(tetradecyl)azanium, Tetradonium, Y3ir7rct6j
    Molecular Formula
    C17H38N+
    Molecular Weight
    256.5  g/mol
    InChI Key
    GLFDLEXFOHUASB-UHFFFAOYSA-N
    FDA UNII
    Y3IR7RCT6J
    Cetyltrimethylammonium compound whose salts and derivatives are used primarily as topical antiseptics.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    trimethyl(tetradecyl)azanium
    2.1.2 InChI
    InChI=1S/C17H38N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4/h5-17H2,1-4H3/q+1
    2.1.3 InChI Key
    GLFDLEXFOHUASB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCCC[N+](C)(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    Y3IR7RCT6J
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-hexadecyltrimethylammonium Chloride

    2. Cetavlon

    3. Cetrimide

    4. Cetriminium

    5. Cetrimonium

    6. Cetrimonium Bromide

    7. Cetrimonium Chloride

    8. Cetrimonium Hydroxide

    9. Cetrimonium Iodide

    10. Cetrimonium Methosulfate

    11. Cetrimonium Methyl Sulfate

    12. Cetrimonium Monosulfate

    13. Cetyltrimethylammonium Bromide

    14. Cetyltrimethylammonium Chloride

    15. Ctab

    16. Ctaoh

    17. Hexadecyl Trimethyl Ammonium Bromide

    18. Hexadecyl(trimethyl)azanium

    19. Hexadecyltrimethylammonium Bromide

    20. Hexadecyltrimethylammonium Octylsulfonate

    21. Htab Cpd

    22. Octylsulfonate, Hexadecyltrimethylammonium

    23. C14qac

    24. Catrimox-14

    25. Myristyl Trimethylammonium Bromide

    26. Tdtma Cpd

    27. Tetradecyl-trimethylammonium Bromide

    28. Tetradecyltrimethylammonium

    29. Tetradecyltrimethylammonium Bromide

    30. Tetradecyltrimethylammonium Chloride

    31. Tetradecyltrimethylammonium Hydroxide

    32. Tetradecyltrimethylammonium Iodide

    33. Tetradecyltrimethylammonium Mesylate

    34. Tetradecyltrimethylammonium Oxalate

    35. Trimethyl Tetradecyl Ammonium Bromide

    36. Trimethyltetradecylammonium Bromide

    37. Ttab Cpd

    2.3.2 Depositor-Supplied Synonyms

    1. 10182-92-0

    2. Cetrimide

    3. Tetradecyltrimethylammonium

    4. Trimethyl(tetradecyl)azanium

    5. Tetradonium

    6. Y3ir7rct6j

    7. Myristyltrimethylammonium; Tetradecyltrimethylammonium

    8. Chembl113150

    9. Myristyltrimethylammonium

    10. Ncgc00166121-01

    11. N,n,n-trimethyl-1-tetradecanaminium

    12. Unii-y3ir7rct6j

    13. Einecs 233-454-5

    14. N,n,n-trimethyltetradecan-1-aminium

    15. Tetradonium Ion

    16. Myristyltrimethylaminium

    17. Tetradonium Cation

    18. Schembl119448

    19. Chembl1180003

    20. Dtxsid9045009

    21. Zinc6845519

    22. Bdbm50060597

    23. Ammonium, Trimethyltetradecyl-

    24. Trimethyl-tetradecyl-ammonium; Bromide

    25. Akos015915095

    26. 1-tetradecanaminium, N,n,n-trimethyl-

    27. Ncgc00166121-02

    28. Ft-0653320

    29. Q27294221

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 256.5 g/mol
    Molecular Formula C17H38N+
    XLogP37
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count13
    Exact Mass256.300425216 g/mol
    Monoisotopic Mass256.300425216 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count18
    Formal Charge1
    Complexity158
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Infective Agents, Local

    Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects. (See all compounds classified as Anti-Infective Agents, Local.)

    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.)

    Detergents

    Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties. (See all compounds classified as Detergents.)

    4.2 ATC Code

    D - Dermatologicals

    D08 - Antiseptics and disinfectants

    D08A - Antiseptics and disinfectants

    D08AJ - Quaternary ammonium compounds

    D08AJ04 - Cetrimide

    D - Dermatologicals

    D11 - Other dermatological preparations

    D11A - Other dermatological preparations

    D11AC - Medicated shampoos

    D11AC01 - Cetrimide