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    Tecarfarin

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

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    REF. STANDARDS & IMPURITIES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 510Xls

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    2D Structure
    Also known as: 867257-26-9, Ati-5923, 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl 4-((4-hydroxy-2-oxo-2h-chromen-3-yl)methyl)benzoate, Wn1479yt50, 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl 4-[(4-hydroxy-2-oxo-2h-chromen-3-yl)methyl]benzoate, Benzoic acid, 4-((4-hydroxy-2-oxo-2h-1-benzopyran-3-yl)methyl)-, 2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl ester
    Molecular Formula
    C21H14F6O5
    Molecular Weight
    460.3  g/mol
    InChI Key
    QFLNTQDOVCLQKW-UHFFFAOYSA-N
    FDA UNII
    WN1479YT50
    Tecarfarin has been used in trials studying the prevention of Thrombosis and Thromboembolism.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) 4-[(4-hydroxy-2-oxochromen-3-yl)methyl]benzoate
    2.1.2 InChI
    InChI=1S/C21H14F6O5/c1-19(20(22,23)24,21(25,26)27)32-17(29)12-8-6-11(7-9-12)10-14-16(28)13-4-2-3-5-15(13)31-18(14)30/h2-9,28H,10H2,1H3
    2.1.3 InChI Key
    QFLNTQDOVCLQKW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C(F)(F)F)(C(F)(F)F)OC(=O)C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3OC2=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    WN1479YT50
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl 4-((4-hydroxy-2-oxo-2h-1-benzopyran-3-yl)methyl)benzoate

    2. Ati 5923

    3. Ati-5923

    4. Ati5923

    2.3.2 Depositor-Supplied Synonyms

    1. 867257-26-9

    2. Ati-5923

    3. 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl 4-((4-hydroxy-2-oxo-2h-chromen-3-yl)methyl)benzoate

    4. Wn1479yt50

    5. 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl 4-[(4-hydroxy-2-oxo-2h-chromen-3-yl)methyl]benzoate

    6. Benzoic Acid, 4-((4-hydroxy-2-oxo-2h-1-benzopyran-3-yl)methyl)-, 2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl Ester

    7. Tecarfarin [usan]

    8. Tecarfarin [usan:inn]

    9. Unii-wn1479yt50

    10. Tecarfarin [inn]

    11. Tecarfarin (usan/inn)

    12. Tecarfarin [who-dd]

    13. Schembl1647984

    14. Chembl2105664

    15. Ati5923

    16. Dtxsid90235788

    17. Ati 5923

    18. Bcp31892

    19. Db12823

    20. Sb18978

    21. (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) 4-[(4-hydroxy-2-oxochromen-3-yl)methyl]benzoate

    22. Hy-14854

    23. Cs-0003597

    24. D09676

    25. Ati-5923; Ati 5923; Ati5923

    26. 257h269

    27. Q27292724

    28. 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl4-((4-hydroxy-2-oxo-2h-chromen-3-yl)methyl)benzoate

    29. 2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl 4-((4-hydroxy-2-oxo-2h-1-benzopyran-3-yl)methyl)benzoate

    30. 2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl 4-((4-hydroxy-2-oxo-2h-chromen-3-yl)methyl)benzoate

    31. Benzoic Acid, 4-[(4-hydroxy-2-oxo-2h-1-benzopyran-3-yl)methyl]-, 2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl?ester

    2.4 Create Date
    2011-12-26
    3 Chemical and Physical Properties
    Molecular Weight 460.3 g/mol
    Molecular Formula C21H14F6O5
    XLogP35.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count5
    Exact Mass460.07454252 g/mol
    Monoisotopic Mass460.07454252 g/mol
    Topological Polar Surface Area72.8 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity750
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1