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    Zinc6845992

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Phenododecinium, Domiphen cation, Domiphen ion, 13900-14-6, Dodecyl-dimethyl-(2-phenoxyethyl)azanium, 4azl56cu0f
    Molecular Formula
    C22H40NO+
    Molecular Weight
    334.6  g/mol
    InChI Key
    YXUPZGKORWTXID-UHFFFAOYSA-N
    FDA UNII
    4AZL56CU0F
    Domiphen bromide is a quaternary ammonium compound that is predominantly employed as a topically administered antiseptic agent.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    dodecyl-dimethyl-(2-phenoxyethyl)azanium
    2.1.2 InChI
    InChI=1S/C22H40NO/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22/h13-15,17-18H,4-12,16,19-21H2,1-3H3/q+1
    2.1.3 InChI Key
    YXUPZGKORWTXID-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=CC=C1
    2.2 Other Identifiers
    2.2.1 UNII
    4AZL56CU0F
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Domiphen Bromide

    2. Domiphen Chloride

    3. Domiphen Hydroxide

    2.3.2 Depositor-Supplied Synonyms

    1. Phenododecinium

    2. Domiphen Cation

    3. Domiphen Ion

    4. 13900-14-6

    5. Dodecyl-dimethyl-(2-phenoxyethyl)azanium

    6. 4azl56cu0f

    7. Dodecyldimethyl(2-phenoxyethyl)ammonium

    8. 1-dodecanaminium, N,n-dimethyl-n-(2-phenoxyethyl)

    9. Ncgc00091010-03

    10. Unii-4azl56cu0f

    11. Domiphen [vandf]

    12. Domiphen [who-dd]

    13. Schembl1702653

    14. Chembl1187011

    15. Dtxsid2048080

    16. Yxupzgkorwtxid-uhfffaoysa-

    17. Chebi:135978

    18. Zinc6845992

    19. Stl257462

    20. Akos022105914

    21. Db11594

    22. (beta-phenoxyethyl)dimethyldodecylammonium

    23. Ncgc00091010-02

    24. Ncgc00091010-04

    25. Ncgc00091010-05

    26. Dodecyl-dimethyl-(2-phenoxyethyl)ammonium

    27. Ab01566921_01

    28. Dodecyl-dimethyl-(2-phenoxyethyl)azanium Bromide

    29. N,n-dimethyl-n-(2-phenoxyethyl)dodecan-1-aminium

    30. (.beta.-phenoxyethyl)dimethyldodecylammonium

    31. Q27098012

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 334.6 g/mol
    Molecular Formula C22H40NO+
    XLogP37.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count15
    Exact Mass334.310989899 g/mol
    Monoisotopic Mass334.310989899 g/mol
    Topological Polar Surface Area9.2 Ų
    Heavy Atom Count24
    Formal Charge1
    Complexity271
    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

    Anti-infective (topical), it is used for the treatment of Acute Infectious Dental Diseases and other conditions.

    5 Pharmacology and Biochemistry
    5.1 Pharmacology

    The efficacy and tolerability of domiphen bromide (domifen bromide), administered at a dosage of 0.5 mg every 4-6 hr in a double-blind placebo controlled study in 31 patients affected by acute infectious dental diseases, are described. After 2 days of treatment with the drug, there was a significant decrease in pain and inflammation. The drug elicited a good response, improved prognosis and reduced the number of days of illness.

    5.2 ATC Code

    A - Alimentary tract and metabolism

    A01 - Stomatological preparations

    A01A - Stomatological preparations

    A01AB - Antiinfectives and antiseptics for local oral treatment

    A01AB06 - Domiphen

    5.3 Mechanism of Action

    Domiphen bromide is a quaternary antiseptic with actions and uses similar to those of cationic surfactants.