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    Benzyldimethyltridecylazanium Chloride

    ACTIVE PHARMA INGREDIENTS

    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: 1641-93-6, Benzyl-dimethyl-tridecylazanium;chloride, N-benzyl-n,n-dimethyltridecan-1-aminium chloride, Nsc-758480, Benzenemethanaminium, ar-dodecyl-n,n,n-trimethyl-, chloride (1:1), Einecs 216-695-0
    Molecular Formula
    C22H40ClN
    Molecular Weight
    354.0  g/mol
    InChI Key
    XIWFQDBQMCDYJT-UHFFFAOYSA-M
    A mixture of alkylbenzyldimethylammonium compounds. It is a bactericidal quaternary ammonium detergent used topically in medicaments, deodorants, mouthwashes, as a surgical antiseptic, and as a as preservative and emulsifier in drugs and cosmetics.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    benzyl-dimethyl-tridecylazanium;chloride
    2.1.2 InChI
    InChI=1S/C22H40N.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(2,3)21-22-18-15-14-16-19-22;/h14-16,18-19H,4-13,17,20-21H2,1-3H3;1H/q+1;/p-1
    2.1.3 InChI Key
    XIWFQDBQMCDYJT-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Alkyldimethylbenzylammonium Chloride

    2. Asepsol

    3. Benzalkonium

    4. Benzalkonium Chloride

    5. Benzalkonium Compounds

    6. Btc 2125

    7. Btc-2125

    8. Btc2125

    9. Chloride, Alkyldimethylbenzylammonium

    10. Chloride, Benzalkonium

    11. Compounds, Benzalkonium

    12. Drapolene

    13. Germex

    14. Osvan

    15. Zephiran

    2.2.2 Depositor-Supplied Synonyms

    1. 1641-93-6

    2. Benzyl-dimethyl-tridecylazanium;chloride

    3. N-benzyl-n,n-dimethyltridecan-1-aminium Chloride

    4. Nsc-758480

    5. Benzenemethanaminium, Ar-dodecyl-n,n,n-trimethyl-, Chloride (1:1)

    6. Einecs 216-695-0

    7. Pentonium

    8. Alpagelle

    9. Zephiran

    10. Benzalkonii Chloridum

    11. (alkyl Length: C8-18)

    12. Schembl631295

    13. Spectrum1503610

    14. Chembl502109

    15. Benzenemethanaminium, N,n-dimethyl-n-tridecyl-, Chloride

    16. Hms502j07

    17. Dtxsid70936908

    18. Hms1922e14

    19. Hms2093g19

    20. Pharmakon1600-01503610

    21. Ccg-39344

    22. Nsc758480

    23. Tridecyldimethylbenzylammonium Chloride

    24. Dimethylbenzyl Tridecyl Ammonium Chloride

    25. Ncgc00095057-01

    26. Ncgc00095057-02

    27. Sr-05000001862

    28. Sr-05000001862-1

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 354.0 g/mol
    Molecular Formula C22H40ClN
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count14
    Exact Mass353.2849280 g/mol
    Monoisotopic Mass353.2849280 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity253
    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

    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.)

    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.)

    Preservatives, Pharmaceutical

    Substances added to pharmaceutical preparations to protect them from chemical change or microbial action. They include ANTI-BACTERIAL AGENTS and antioxidants. (See all compounds classified as Preservatives, Pharmaceutical.)