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    Cetalkonium

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 546Xls

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    2D Structure
    Also known as: 10328-34-4, Cetyldimethylbenzylammonium, Cetalkonium ion, Cetalkonium cation, Benzyl-hexadecyl-dimethylazanium, Benzyldimethylhexadecylammonium
    Molecular Formula
    C25H46N+
    Molecular Weight
    360.6  g/mol
    InChI Key
    QDYLMAYUEZBUFO-UHFFFAOYSA-N
    FDA UNII
    FHG725432Z
    Cetalkonium is a C16 alkyl benzalkonium chloride derivative with an amphipathic property which allows it to be used in different types of formulations. It is a quaternary ammonium salt that acts as an antiseptic against a variety of bacteria and fungi. Cetalkonium is approved by the FDA for its use in over-the-counter products as a skin protectant. By Health Canada, it is also approved for its use in over-the-counter products.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    benzyl-hexadecyl-dimethylazanium
    2.1.2 InChI
    InChI=1S/C25H46N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25/h17-19,21-22H,4-16,20,23-24H2,1-3H3/q+1
    2.1.3 InChI Key
    QDYLMAYUEZBUFO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
    2.2 Other Identifiers
    2.2.1 UNII
    FHG725432Z
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Benzylcetyldimethylammonium

    2. Benzylcetyldimethylammonium Chloride Hydrate

    3. Bzk-c16

    2.3.2 Depositor-Supplied Synonyms

    1. 10328-34-4

    2. Cetyldimethylbenzylammonium

    3. Cetalkonium Ion

    4. Cetalkonium Cation

    5. Benzyl-hexadecyl-dimethylazanium

    6. Benzyldimethylhexadecylammonium

    7. Benzylhexadecyldimethylammonium

    8. Benzenemethanaminium, N-hexadecyl-n,n-dimethyl-

    9. Fhg725432z

    10. Benzylcetyldimethylammonium

    11. Unii-fhg725432z

    12. Benzyldimethylhexadecyl Ammonium

    13. Cbnbr

    14. Benzyl Hexadecyl Dimethyl Ammonium

    15. Benzyl-hexadecyl-dimethyl-ammonium

    16. Benzyldimethylhexadecylammonium Cation

    17. Benzylcetyldimethylaminium

    18. Schembl233796

    19. Chembl1624075

    20. Dtxsid3047007

    21. Benzalkonium Chloride C16

    22. Chebi:135523

    23. Zinc14233334

    24. Db11583

    25. A901252

    26. Sr-01000944408

    27. Sr-01000944408-1

    28. Q27277991

    29. Benzenemethanaminium, N-hexadecyl, N,n-dimethyl-

    30. 51895-89-7

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 360.6 g/mol
    Molecular Formula C25H46N+
    XLogP39.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count17
    Exact Mass360.363025472 g/mol
    Monoisotopic Mass360.363025472 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count26
    Formal Charge1
    Complexity291
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Cetalkonium is used as a surfactant, germicide, fungicide, mildew preventive agents in silicone-based water repellents, emulsifier, disinfectant, topical anti-infective, and antiseptic antimicrobial for pharmaceuticals. For its chemical properties and its antiseptical characteristics, cetalkonium can be used in a wide variety of products as part of the formulations and it is also determined to be an active antiseptic ingredient in over-the-counter preparations.

    5 Pharmacology and Biochemistry
    5.1 Pharmacology

    Cetalkonium is an antimicrobial agent and it has shown to be effective against both gram-positive, gram-negative bacteria and fungi. From this property, it has been shown to present a better activity against the gram-negative organisms.

    5.2 Absorption, Distribution and Excretion

    Absorption

    Cetalkonium is used mainly topically and it is not absorbed. When administered orally and parenterally, cetalkonium absorption may happen but it is very insignificant.

    Route of Elimination

    As cetalkonium is not absorbed, this pharmacokinetic property is not relevant. When administered orally, most of the administered dose is excreted unchanged in the feces as it is very poorly absorbed.

    Volume of Distribution

    As cetalkonium is not absorbed, this pharmacokinetic property is not relevant.

    Clearance

    As cetalkonium is not absorbed, this pharmacokinetic property is not relevant.

    5.3 Metabolism/Metabolites

    As cetalkonium is not absorbed, this pharmacokinetic property is not relevant.

    5.4 Biological Half-Life

    As cetalkonium is not absorbed, this pharmacokinetic property is not relevant.

    5.5 Mechanism of Action

    The activity of cetalkonium is based on the creation of a positive charge which permits a bio-adhesive property to negative surfaces. This property allows cetalkonium to disrupt the cell membrane, inactivate enzymes and denature proteins. This type of mechanism allows this type of agents to present a broad spectrum.