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    Ifetroban

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    2D Structure
    Also known as: 143443-90-7, Bms-180291, Ifetroban [usan:inn], Unii-e833kt807k, 3-[2-[[(1s,2r,3s,4r)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid, Bms 180291-02
    Molecular Formula
    C25H32N2O5
    Molecular Weight
    440.5  g/mol
    InChI Key
    BBPRUNPUJIUXSE-DXKRWKNPSA-N
    FDA UNII
    E833KT807K
    IFETROBAN is a small molecule drug with a maximum clinical trial phase of II (across all indications) and has 7 investigational indications.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[2-[[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid
    2.1.2 InChI
    InChI=1S/C25H32N2O5/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)/t18-,20-,21+,23-/m0/s1
    2.1.3 InChI Key
    BBPRUNPUJIUXSE-DXKRWKNPSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    E833KT807K
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Bms 180291

    2. Bms-180291

    3. Bms180291

    2.3.2 Depositor-Supplied Synonyms

    1. 143443-90-7

    2. Bms-180291

    3. Ifetroban [usan:inn]

    4. Unii-e833kt807k

    5. 3-[2-[[(1s,2r,3s,4r)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic Acid

    6. Bms 180291-02

    7. E833kt807k

    8. Ifetroban [inn]

    9. Ifetroban [usan]

    10. Bms 180291

    11. Dtxsid40869931

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

    13. Bms 180,291

    14. 3-[2-[[(1s,4r,5s,6r)-5-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-6-yl]methyl]phenyl]propanoic Acid

    15. O-((1s,2r,3s,4r)-3-(4-(pentylcarbamoyl)-2-oxazolyl)-7-oxabicyclo(2.2.1)hept-2-yl)methyl)hydrocinnamic Acid

    16. Ifetrobanum

    17. 3-(2-(((1s,2r,3s,4r)-3-(4-(pentylcarbamoyl)-1,3-oxazol-2-yl)-7-oxabicyclo(2.2.1)heptan-2-yl)methyl)phenyl)propanoic Acid

    18. 3-(2-(((1s,4r,5s,6r)-5-(4-(pentylcarbamoyl)-1,3-oxazol-2-yl)-7-oxabicyclo(2.2.1)heptan-6-yl)methyl)phenyl)propanoic Acid

    19. 3-(2-{[(1s,2r,3s,4r)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl}phenyl)propanoic Acid

    20. O-[[1s,2r,3s,4r)-3-[4-(pentylcarbamoyl)-2-oxazolyl]-7-oxabicyclo[2.2.1]hept-2-yl]methyl]hydrocinnamic Acid

    21. Bms180291

    22. Schembl28135

    23. Gtpl1987

    24. Chembl3301673

    25. Dtxcid30820733

    26. Chebi:188730

    27. Bdbm50212318

    28. Akos040748563

    29. Db12321

    30. Da-74420

    31. Hy-105218

    32. Cs-0025381

    33. Ns00069206

    34. Q5991162

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 440.5 g/mol
    Molecular Formula C25H32N2O5
    XLogP34
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count11
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area102
    Heavy Atom Count32
    Formal Charge0
    Complexity644
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Platelet Aggregation Inhibitors

    Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)