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    Chemistry

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    Also known as: 351227-64-0, Fosravuconazole [inn], Bms-379224, Ravuconazole phosphoester, Ravuconazole methylphosphate, E1224 free acid
    Molecular Formula
    C23H20F2N5O5PS
    Molecular Weight
    547.5  g/mol
    InChI Key
    SYTNEMZCCLUTNX-NPMXOYFQSA-N
    FDA UNII
    L4Q6O5430L
    Fosravuconazole
    Fosravuconazole is under investigation in clinical trial NCT03378661 (BENDITA BEnznidazole New Doses Improved Treatment and Associations).
    1 2D Structure

    Fosravuconazole

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]oxymethyl dihydrogen phosphate
    2.1.2 InChI
    InChI=1S/C23H20F2N5O5PS/c1-15(22-29-21(10-37-22)17-4-2-16(9-26)3-5-17)23(11-30-13-27-12-28-30,34-14-35-36(31,32)33)19-7-6-18(24)8-20(19)25/h2-8,10,12-13,15H,11,14H2,1H3,(H2,31,32,33)/t15-,23+/m0/s1
    2.1.3 InChI Key
    SYTNEMZCCLUTNX-NPMXOYFQSA-N
    2.1.4 Canonical SMILES
    CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)OCOP(=O)(O)O
    2.1.5 Isomeric SMILES
    C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)OCOP(=O)(O)O
    2.2 Other Identifiers
    2.2.1 UNII
    L4Q6O5430L
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Bms-379224

    2.3.2 Depositor-Supplied Synonyms

    1. 351227-64-0

    2. Fosravuconazole [inn]

    3. Bms-379224

    4. Ravuconazole Phosphoester

    5. Ravuconazole Methylphosphate

    6. E1224 Free Acid

    7. Ravuconazole Methyl Phosphate

    8. E-1224 Free Acid

    9. Chebi:34549

    10. L4q6o5430l

    11. Bms 379224

    12. (((2r,3r)-3-(4-(4-cyanophenyl)thiazol-2-yl)-2-(2,4-difluorophenyl)-1-(1h-1,2,4-triazol-1-yl)butan-2-yl)oxy)methyl Dihydrogen Phosphate

    13. Benzonitrile, 4-(2-((1r,2r)-2-(2,4-difluorophenyl)-1-methyl-2-((phosphonooxy)methoxy)-3-(1h-1,2,4-triazol-1-yl)propyl)-4-thiazolyl)-

    14. Unii-l4q6o5430l

    15. Fosravuconazole [mi]

    16. Chembl333325

    17. Schembl1434200

    18. Fosravuconazole [who-dd]

    19. Dtxsid70188627

    20. Db15204

    21. [(2r,3r)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-yl]oxymethyl Dihydrogen Phosphate

    22. Hy-16779

    23. Cs-0012407

    24. Q27116141

    25. 4-[2-[(1r,2r)-1-methyl-2-(phosphonooxymethoxy)-2-(2,4-difluorophenyl)-3-(1h-1,2,4-triazole-1-yl)propyl]thiazole-4-yl]benzonitrile

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 547.5 g/mol
    Molecular Formula C23H20F2N5O5PS
    XLogP32.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count10
    Exact Mass547.08908325 g/mol
    Monoisotopic Mass547.08908325 g/mol
    Topological Polar Surface Area172 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity859
    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 ATC Code

    D - Dermatologicals

    D01 - Antifungals for dermatological use

    D01B - Antifungals for systemic use

    D01BA - Antifungals for systemic use

    D01BA03 - Fosravuconazole

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    11-Jan-2021
    23-Mar-2023
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