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    Trimethylphloroglucinol

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 79Xls

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    2D Structure
    Also known as: 4463-03-0, 2,4,6-trimethylbenzene-1,3,5-triol, Trimethylphloroglucin, 2,4,6-trimethyl-1,3,5-benzenetriol, 2,4,6-trimethylphloroglucinol, Trimethyl phloroglucino
    Molecular Formula
    C9H12O3
    Molecular Weight
    168.19  g/mol
    InChI Key
    MNBSXKSWDLYJHN-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,4,6-trimethylbenzene-1,3,5-triol
    2.1.2 InChI
    InChI=1S/C9H12O3/c1-4-7(10)5(2)9(12)6(3)8(4)11/h10-12H,1-3H3
    2.1.3 InChI Key
    MNBSXKSWDLYJHN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=C(C(=C1O)C)O)C)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 1,3,5-trimethoxybenzene

    2.2.2 Depositor-Supplied Synonyms

    1. 4463-03-0

    2. 2,4,6-trimethylbenzene-1,3,5-triol

    3. Trimethylphloroglucin

    4. 2,4,6-trimethyl-1,3,5-benzenetriol

    5. 2,4,6-trimethylphloroglucinol

    6. Trimethyl Phloroglucino

    7. Schembl320898

    8. Trimethylbenzene-1,3,5-triol

    9. Dtxsid80196258

    10. Zinc3650253

    11. Ft-0675631

    12. A936958

    2.3 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 168.19 g/mol
    Molecular Formula C9H12O3
    XLogP31.9
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass168.078644241 g/mol
    Monoisotopic Mass168.078644241 g/mol
    Topological Polar Surface Area60.7 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity113
    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

    Parasympatholytics

    Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS. (See all compounds classified as Parasympatholytics.)