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    Fezagepras

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    2D Structure
    Also known as: Setogepram, Fezagepras, 1002101-19-0, Pbi-4050, Benzeneacetic acid, 3-pentyl-, (3-pentylphenyl)acetic acid
    Molecular Formula
    C13H18O2
    Molecular Weight
    206.28  g/mol
    InChI Key
    PEGQOIGYZLJMIB-UHFFFAOYSA-N
    FDA UNII
    879OVM0Y1S
    Setogepram is under investigation in clinical trial NCT03184584 (Open-Label Rollover Study of PBI 4050 in Subjects With Alstrm Syndrome).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(3-pentylphenyl)acetic acid
    2.1.2 InChI
    InChI=1S/C13H18O2/c1-2-3-4-6-11-7-5-8-12(9-11)10-13(14)15/h5,7-9H,2-4,6,10H2,1H3,(H,14,15)
    2.1.3 InChI Key
    PEGQOIGYZLJMIB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCC1=CC(=CC=C1)CC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    879OVM0Y1S
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (3-pentylphenyl)acetic Acid

    2. Benzeneacetic Acid, 3-pentyl-

    3. Pbi-4050

    4. Setogepram

    2.3.2 Depositor-Supplied Synonyms

    1. Setogepram

    2. Fezagepras

    3. 1002101-19-0

    4. Pbi-4050

    5. Benzeneacetic Acid, 3-pentyl-

    6. (3-pentylphenyl)acetic Acid

    7. 3-pentylbenzeneacetic Acid

    8. 879ovm0y1s

    9. 1002101-19-0 (free Acid)

    10. Fezagepras [inn]

    11. Unii-879ovm0y1s

    12. 2-(3-pentylphenyl)aceticacid

    13. Schembl289216

    14. Chembl4297635

    15. Gtpl10043

    16. Pbi4050

    17. Cqb10119

    18. Bdbm50548388

    19. Zinc113492390

    20. Db15447

    21. Hy-100775a

    22. As-59875

    23. Cs-0062694

    24. C90270

    25. Q27895887

    2.4 Create Date
    2008-03-17
    3 Chemical and Physical Properties
    Molecular Weight 206.28 g/mol
    Molecular Formula C13H18O2
    XLogP34
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count6
    Exact Mass206.130679813 g/mol
    Monoisotopic Mass206.130679813 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity189
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1