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    Chemistry

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    Also known as: 1340593-59-0, Vt-1161, Oteseconazole [usan], Vhh774w97n, Chembl3311228, (2r)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-yl]propan-2-ol
    Molecular Formula
    C23H16F7N5O2
    Molecular Weight
    527.4  g/mol
    InChI Key
    IDUYJRXRDSPPRC-NRFANRHFSA-N
    FDA UNII
    VHH774W97N
    Oteseconazole
    Oteseconazole has been used in trials studying the treatment of Tinea Pedis, Onychomycosis, Candidiasis, Vulvovaginal, and Recurrent Vulvovaginal Candidiasis.
    1 2D Structure

    Oteseconazole

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-yl]propan-2-ol
    2.1.2 InChI
    InChI=1S/C23H16F7N5O2/c24-16-4-7-18(19(25)9-16)21(36,11-35-13-32-33-34-35)23(29,30)20-8-3-15(10-31-20)14-1-5-17(6-2-14)37-12-22(26,27)28/h1-10,13,36H,11-12H2/t21-/m0/s1
    2.1.3 InChI Key
    IDUYJRXRDSPPRC-NRFANRHFSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C2=CN=C(C=C2)C(C(CN3C=NN=N3)(C4=C(C=C(C=C4)F)F)O)(F)F)OCC(F)(F)F
    2.1.5 Isomeric SMILES
    C1=CC(=CC=C1C2=CN=C(C=C2)C([C@](CN3C=NN=N3)(C4=C(C=C(C=C4)F)F)O)(F)F)OCC(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    VHH774W97N
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Vt-1161

    2.3.2 Depositor-Supplied Synonyms

    1. 1340593-59-0

    2. Vt-1161

    3. Oteseconazole [usan]

    4. Vhh774w97n

    5. Chembl3311228

    6. (2r)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-yl]propan-2-ol

    7. (r)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1h-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol

    8. 2-pyridineethanol, Alpha-(2,4-difluorophenyl)-beta,beta-difluoro-alpha-(1h-tetrazol-1-ylmethyl)-5-(4-(2,2,2-trifluoroethoxy)phenyl)-, (alphar)-

    9. 2-pyridineethanol, Alpha-(2,4-difluorophenyl)-beta,beta-difluoro-alpha-(1h-tetrazol-1-ylmethyl)-5-[4-(2,2,2-trifluoroethoxy)phenyl]-, (alphar)-

    10. Vivjoa

    11. Oteseconazole [inn]

    12. Oteseconazole (usan/inn)

    13. Unii-vhh774w97n

    14. Oteseconazole, (+)-

    15. Oteseconazole [who-dd]

    16. Schembl17113021

    17. Chebi:188153

    18. Bdbm50046187

    19. Who 10138

    20. Db13055

    21. Sb17420

    22. Vt-1161vt-1161

    23. Hy-17643

    24. Cs-0016914

    25. D11785

    26. D87154

    27. Q27291837

    28. (2r)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1h-tetrazol-1-yl)-1-{5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-yl}propan-2-ol

    29. (alphar)-alpha-(2,4-difluorophenyl)-beta,beta-difluoro-alpha-(1h-tetrazol-1-ylmethyl)-5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridineethanol

    2.4 Create Date
    2014-09-01
    3 Chemical and Physical Properties
    Molecular Weight 527.4 g/mol
    Molecular Formula C23H16F7N5O2
    XLogP34.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count8
    Exact Mass527.11922190 g/mol
    Monoisotopic Mass527.11922190 g/mol
    Topological Polar Surface Area86 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity743
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    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

    Treatment of vulvovaginal candidiasis

    5 Pharmacology and Biochemistry
    5.1 ATC Code

    J - Antiinfectives for systemic use

    J02 - Antimycotics for systemic use

    J02A - Antimycotics for systemic use

    J02AC - Triazole and tetrazole derivatives

    J02AC06 - Oteseconazole

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