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    Ifetroban Sodium

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    2D Structure
    Also known as: 156715-37-6, Ifetroban sodium [usan], Bms-180291-02, Unii-48ija0e92c, 48ija0e92c, Ifetroban sodium (usan)
    Molecular Formula
    C25H31N2NaO5
    Molecular Weight
    462.5  g/mol
    InChI Key
    WOHSQDNIXPEQAE-QBKVZTCDSA-M
    FDA UNII
    48IJA0E92C
    IFETROBAN SODIUM is a small molecule drug with a maximum clinical trial phase of II (across all indications) and has 3 investigational indications.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;3-[2-[[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoate
    2.1.2 InChI
    InChI=1S/C25H32N2O5.Na/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29;/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29);/q;+1/p-1/t18-,20-,21+,23-;/m0./s1
    2.1.3 InChI Key
    WOHSQDNIXPEQAE-QBKVZTCDSA-M
    2.2 Other Identifiers
    2.2.1 UNII
    48IJA0E92C
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 156715-37-6

    2. Ifetroban Sodium [usan]

    3. Bms-180291-02

    4. Unii-48ija0e92c

    5. 48ija0e92c

    6. Ifetroban Sodium (usan)

    7. Benzenepropanoic Acid, 2-((3-(4-((pentylamino)carbonyl)-2-oxazolyl)-7-oxabicyclo(2.2.1)hept-2-yl)methyl)-, Monosodium Salt, (1s-(exo,exo))-

    8. Sodium O-(((1s,2r,3s,4r)-3-(4-(pentylcarbamoyl)-2-oxazolyl)-7-oxabicyclo(2.2.1)hept-2-yl)methyl)hydrocinnamate

    9. Sodium O-[[(1s,2r,3s,4r)-3-[4-(pentylcarbamoyl)-2-oxazolyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]hydrocinnamate

    10. Ifetroban (sodium)

    11. Sodium;3-[2-[[(1s,2r,3s,4r)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoate

    12. Bms-180291 Sodium Salt

    13. Schembl3253650

    14. Chembl3301674

    15. Dtxsid40935504

    16. Wohsqdnixpeqae-qbkvztcdsa-m

    17. Ifetroban Sodium, >=98% (hplc)

    18. Hy-105218a

    19. Da-54258

    20. Cs-0025380

    21. Q27259142

    22. 2-[[(1s,2r,3s,4r)-3-[4-[(pentylamino)carbonyl]-2-oxazolyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]-benzenepropanoic Acid Sodium Salt

    23. Sodium 3-{2-[(3-{4-[hydroxy(pentylimino)methyl]-1,3-oxazol-2-yl}-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]phenyl}propanoate

    2.3.2 Other Synonyms

    1. Ifetroban

    2. 143443-90-7

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 462.5 g/mol
    Molecular Formula C25H31N2NaO5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count11
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area104
    Heavy Atom Count33
    Formal Charge0
    Complexity650
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2