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    Fosravuconazole (L-lysine ethanolate)

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Qc4g8xs0h0, Fosravuconazole (l-lysine ethanolate), Fosravuconazole l-lysine ethanolate [mi], ((1r,2r)-2-(4-(4-cyanophenyl)-2-thiazolyl)-1-(2,4-difluorophenyl)-1-(1h-1,2,4-triazol-1-ylmethyl)propoxy) methyl ester compound with lysine, ethanolate (1:1:1), L-lysine, compd. with 4-(2-((1r,2r)-2-(2,4-difluorophenyl)-1-methyl-2-((phosphonooxy)methoxy)-3-(1h-1,2,4-triazol-1-yl)propyl)-4-thiazolyl)benzonitrile and ethanol (1:1:1), Fosravuconazole l-lysine ethanolate (jan)
    Molecular Formula
    C31H40F2N7O8PS
    Molecular Weight
    739.7  g/mol
    InChI Key
    VOWYGLHOVNSCSA-NRVKWRQJSA-N
    FDA UNII
    QC4G8XS0H0
    1 2D Structure

    2D Structure

    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;(2S)-2,6-diaminohexanoic acid;ethanol
    2.1.2 InChI
    InChI=1S/C23H20F2N5O5PS.C6H14N2O2.C2H6O/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;7-4-2-1-3-5(8)6(9)10;1-2-3/h2-8,10,12-13,15H,11,14H2,1H3,(H2,31,32,33);5H,1-4,7-8H2,(H,9,10);3H,2H2,1H3/t15-,23+;5-;/m00./s1
    2.1.3 InChI Key
    VOWYGLHOVNSCSA-NRVKWRQJSA-N
    2.1.4 Canonical SMILES
    CCO.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.C(CCN)CC(C(=O)O)N
    2.1.5 Isomeric SMILES
    CCO.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.C(CCN)C[C@@H](C(=O)O)N
    2.2 Other Identifiers
    2.2.1 UNII
    QC4G8XS0H0
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. F-rvcz

    2.3.2 Depositor-Supplied Synonyms

    1. Qc4g8xs0h0

    2. Fosravuconazole (l-lysine Ethanolate)

    3. Fosravuconazole L-lysine Ethanolate [mi]

    4. ((1r,2r)-2-(4-(4-cyanophenyl)-2-thiazolyl)-1-(2,4-difluorophenyl)-1-(1h-1,2,4-triazol-1-ylmethyl)propoxy) Methyl Ester Compound With Lysine, Ethanolate (1:1:1)

    5. L-lysine, Compd. With 4-(2-((1r,2r)-2-(2,4-difluorophenyl)-1-methyl-2-((phosphonooxy)methoxy)-3-(1h-1,2,4-triazol-1-yl)propyl)-4-thiazolyl)benzonitrile And Ethanol (1:1:1)

    6. Fosravuconazole L-lysine Ethanolate (jan)

    7. Fosravuconazole L-lysine Ethanolate [jan]

    8. 914361-45-8

    9. L-lysine, Compd. With 4-[2-[(1r,2r)-2-(2,4-difluorophenyl)-1-methyl-2-[(phosphonooxy)methoxy]-3-(1h-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile And Ethanol (1:1:1)

    10. Unii-qc4g8xs0h0

    11. E-1224 L-lysine Ethanolate

    12. Bms-379224 L-lysine Ethanolate

    13. Hy-16779b

    14. Cs-0145609

    15. D10762

    16. Fosravuconazole L-lysine Ethanolate [who-dd]

    17. (s)-2,6-diaminohexanoic Acid (((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 And Ethanol Salt

    2.4 Create Date
    2016-01-22
    3 Chemical and Physical Properties
    Molecular Weight 739.7 g/mol
    Molecular Formula C31H40F2N7O8PS
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count17
    Rotatable Bond Count15
    Exact Mass739.23647576 g/mol
    Monoisotopic Mass739.23647576 g/mol
    Topological Polar Surface Area281 Ų
    Heavy Atom Count50
    Formal Charge0
    Complexity967
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3