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    Genaconazole

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1,2,4-triazol-1-ylbutan-2-ol, Threo-2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1h-1,2,4-triazol-1-yl)butan-2-ol, Chembl175050, Schembl1455652, Dtxsid90923916, Rac-(2r*,3r*)-2-(2,4-difluorophenyl)-3-(methylsulfonyl)-1-(1,2,4-triazol-1-yl)-2-butanol
    Molecular Formula
    C13H15F2N3O3S
    Molecular Weight
    331.34  g/mol
    InChI Key
    HFGZFHCWKKQGIS-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1,2,4-triazol-1-yl)butan-2-ol
    2.1.2 InChI
    InChI=1S/C13H15F2N3O3S/c1-9(22(2,20)21)13(19,6-18-8-16-7-17-18)11-4-3-10(14)5-12(11)15/h3-5,7-9,19H,6H2,1-2H3
    2.1.3 InChI Key
    HFGZFHCWKKQGIS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)S(=O)(=O)C
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Genaconazole

    2. Sch 39304

    3. Sch 42426

    4. Sch 42427

    5. Sch-39304

    6. Sch-42426

    7. Sch-42427

    8. Sm 8668

    9. Sm-8668

    10. Threo-2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1h-1,2,4-triazol-1-yl)butan-2-ol

    2.2.2 Depositor-Supplied Synonyms

    1. 2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1,2,4-triazol-1-ylbutan-2-ol

    2. Threo-2-(2,4-difluorophenyl)-3-methylsulfonyl-1-(1h-1,2,4-triazol-1-yl)butan-2-ol

    3. Chembl175050

    4. Schembl1455652

    5. Dtxsid90923916

    6. Rac-(2r*,3r*)-2-(2,4-difluorophenyl)-3-(methylsulfonyl)-1-(1,2,4-triazol-1-yl)-2-butanol

    7. 2-(2,4-difluorophenyl)-3-(methanesulfonyl)-1-(1h-1,2,4-triazol-1-yl)butan-2-ol

    2.3 Create Date
    2005-08-01
    3 Chemical and Physical Properties
    Molecular Weight 331.34 g/mol
    Molecular Formula C13H15F2N3O3S
    XLogP30.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass331.08021885 g/mol
    Monoisotopic Mass331.08021885 g/mol
    Topological Polar Surface Area93.5 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity487
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antifungal Agents

    Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues. (See all compounds classified as Antifungal Agents.)