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    Albaconazole

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 187949-02-6, Ur-9825, W-0027, Ydw24y8iab, 7-chloro-3-((1r,2r)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1h-1,2,4-triazol-1-yl)propyl)quinazolin-4(3h)-one, W0027
    Molecular Formula
    C20H16ClF2N5O2
    Molecular Weight
    431.8  g/mol
    InChI Key
    UHIXWHUVLCAJQL-MPBGBICISA-N
    FDA UNII
    YDW24Y8IAB
    Albaconazole has been used in trials studying the basic science of Onychomycosis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-chloro-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one
    2.1.2 InChI
    InChI=1S/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1
    2.1.3 InChI Key
    UHIXWHUVLCAJQL-MPBGBICISA-N
    2.1.4 Canonical SMILES
    CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=C(C3=O)C=CC(=C4)Cl
    2.1.5 Isomeric SMILES
    C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=C(C3=O)C=CC(=C4)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    YDW24Y8IAB
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 7-chloro-3-(2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1h-1,2,4-triazol-1-yl)propyl)quinazolin-4(3h)-one

    2. Ur 9825

    3. Ur-9825

    2.3.2 Depositor-Supplied Synonyms

    1. 187949-02-6

    2. Ur-9825

    3. W-0027

    4. Ydw24y8iab

    5. 7-chloro-3-((1r,2r)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1h-1,2,4-triazol-1-yl)propyl)quinazolin-4(3h)-one

    6. W0027

    7. 4(3h)-quinazolinone, 7-chloro-3-((1r,2r)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1h-1,2,4-triazol-1-yl)propyl)-

    8. 7-chloro-3-((2r,3r)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1h-1,2,4-triazol-1-yl)butan-2-yl)quinazolin-4(3h)-one

    9. Albaconazol

    10. Albaconazole [inn]

    11. Ur 9825

    12. Unii-ydw24y8iab

    13. Albaconazole [usan:inn]

    14. Albaconazol [inn-spanish]

    15. 7-chloro-3-[(2r,3r)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one

    16. Albaconazole (usan/inn)

    17. Albaconazole [usan]

    18. Chembl298817

    19. Schembl1262830

    20. Dtxsid3058244

    21. Zinc602086

    22. Bdbm50011477

    23. Mfcd09837823

    24. Ur9825

    25. Akos027327579

    26. Db12073

    27. 4(3h)-quinazolinone,7-chloro-3-[(1r,2r)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1h-1,2,4-triazol-1-yl)propyl]-

    28. 7-chloro-3-(2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1h-1,2,4-triazol-1-yl)propyl)quinazolin-4(3h)-one

    29. 7-chloro-3-[(1r,2r)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]quinazolin-4-one

    30. D09702

    31. W 0027

    32. J-012103

    33. Q4708967

    34. (1r,2r)-7-chloro-3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1h-1,2, 4-triazol-1-yl)propyl]quinazolin-4(3h)-one

    35. (1r,2r)-7-chloro-3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1h-1,2,4-triazol-1-yl)propyl]quinazolin-4(3h)-one

    36. 206350-10-9

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 431.8 g/mol
    Molecular Formula C20H16ClF2N5O2
    XLogP32.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass431.0960588 g/mol
    Monoisotopic Mass431.0960588 g/mol
    Topological Polar Surface Area83.6 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity673
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    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

    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.)