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    Roluperidone

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 359625-79-9, Cyr-101, Min-101, Min-101 free base, 4p31i0m3bf, 2-((1-(2-(4-fluorophenyl)-2-oxoethyl)piperidin-4-yl)methyl)isoindolin-1-one
    Molecular Formula
    C22H23FN2O2
    Molecular Weight
    366.4  g/mol
    InChI Key
    RNRYULFRLCBRQS-UHFFFAOYSA-N
    FDA UNII
    4P31I0M3BF
    Roluperidone has been used in trials studying the treatment of Schizophrenia.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one
    2.1.2 InChI
    InChI=1S/C22H23FN2O2/c23-19-7-5-17(6-8-19)21(26)15-24-11-9-16(10-12-24)13-25-14-18-3-1-2-4-20(18)22(25)27/h1-8,16H,9-15H2
    2.1.3 InChI Key
    RNRYULFRLCBRQS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCC1CN2CC3=CC=CC=C3C2=O)CC(=O)C4=CC=C(C=C4)F
    2.2 Other Identifiers
    2.2.1 UNII
    4P31I0M3BF
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Min-101

    2. Roluperidone Hydrochloride

    2.3.2 Depositor-Supplied Synonyms

    1. 359625-79-9

    2. Cyr-101

    3. Min-101

    4. Min-101 Free Base

    5. 4p31i0m3bf

    6. 2-((1-(2-(4-fluorophenyl)-2-oxoethyl)piperidin-4-yl)methyl)isoindolin-1-one

    7. Roluperidone (usan)

    8. Roluperidone [usan]

    9. 1h-isoindol-1-one, 2-((1-(2-(4-fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-

    10. Unii-4p31i0m3bf

    11. Roluperidon

    12. 2-((1-(2-(4-fluorophenyl)-2-oxoethyl)piperidin-4-yl)methyl)-2,3-dihydro-1h-isoindol-1-one

    13. 2-({1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl}methyl)-2,3-dihydro-1h-isoindol-1-one

    14. Cyr-101(roluperidone)

    15. Roluperidone; Cyr-101

    16. Roluperidone [inn]

    17. Schembl5252391

    18. Chembl4297605

    19. Dtxsid10189512

    20. Mt-210cyr-101

    21. Ex-a3145

    22. Mfcd28502826

    23. Akos037643756

    24. Cs-6971

    25. Db13080

    26. As-35144

    27. Hy-19469

    28. Db-086934

    29. D11258

    30. A1-49962

    31. Q25100536

    32. 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl]methyl]-3h-isoindol-1-one

    33. 2-({1-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-yl}methyl)-2,3-dihydro-1h-isoindol-1-one; Min-101

    34. 2-[[1-[2-(4-fluorophenyl)-2-oxoethyl]-4-piperidinyl]methyl]-2,3-dihydro-1h-isoindol-1-one

    35. Yt7

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 366.4 g/mol
    Molecular Formula C22H23FN2O2
    XLogP33.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass366.17435614 g/mol
    Monoisotopic Mass366.17435614 g/mol
    Topological Polar Surface Area40.6 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity538
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1