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    Technical details about CAS 86386-77-8, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 86386-77-8

    Manufacturers/Suppliers

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 86386-77-8, 1-((2-(2,4-difluorophenyl)oxiran-2-yl)methyl)-1h-1,2,4-triazole methanesulfonate, 1-[2-(2,4-difluorophenyl)-2,3-epoxypropyl]-1h-1, 2, 4-triazole methanesulfonate, 1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;methanesulfonic acid, Fluconazole impurity (1-(2,4-difluorophenyl)-1-(1h-1,2,4-triazol-1-yl)-2,3-epoxy propane methanesulfonate salt), 1-[2-(2,4-difluorophenyl)-2,3-epoxypropyl]-1h-1,2,4-triazole methanesulfonate
    Molecular Formula
    C12H13F2N3O4S
    Molecular Weight
    333.31  g/mol
    InChI Key
    NJBRNNOGZPVNNR-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;methanesulfonic acid
    2.1.2 InChI
    InChI=1S/C11H9F2N3O.CH4O3S/c12-8-1-2-9(10(13)3-8)11(5-17-11)4-16-7-14-6-15-16;1-5(2,3)4/h1-3,6-7H,4-5H2;1H3,(H,2,3,4)
    2.1.3 InChI Key
    NJBRNNOGZPVNNR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CS(=O)(=O)O.C1C(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)F)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 86386-77-8

    2. 1-((2-(2,4-difluorophenyl)oxiran-2-yl)methyl)-1h-1,2,4-triazole Methanesulfonate

    3. 1-[2-(2,4-difluorophenyl)-2,3-epoxypropyl]-1h-1, 2, 4-triazole Methanesulfonate

    4. 1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole;methanesulfonic Acid

    5. Fluconazole Impurity (1-(2,4-difluorophenyl)-1-(1h-1,2,4-triazol-1-yl)-2,3-epoxy Propane Methanesulfonate Salt)

    6. 1-[2-(2,4-difluorophenyl)-2,3-epoxypropyl]-1h-1,2,4-triazole Methanesulfonate

    7. Fluconazoleintermediate

    8. Schembl7639548

    9. C12h13f2n3o4s

    10. Tqr1089

    11. Njbrnnogzpvnnr-uhfffaoysa-n

    12. Akos015904526

    13. 1-[2-(2,4-difluorophenyl)-2,3-epoxypropyl]-1h-1,2,4-triazole Methanesulphonate

    14. Ms-20784

    15. A841628

    16. J-507218

    17. 1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole Methanesulfonic Acid

    18. 1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole; Methanesulfonic Acid

    19. 1-{[2-(2,4-difluorophenyl)oxiran-2-yl]methyl}-1h-1,2,4-triazole Monomethanesulfonate

    20. 2,4-difluorophenyl) 1-(1h, 1-yl-1,2,4 Triazole-2,3-epoxy Propane Methane Sulfona

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 333.31 g/mol
    Molecular Formula C12H13F2N3O4S
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area106
    Heavy Atom Count22
    Formal Charge0
    Complexity386
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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