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    Technical details about OPC-167832, learn more about the structure, uses, toxicity, action, side effects and more

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    OPC-167832

    DEVELOPMENTS

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: Unii-1pqn78p4s3, Opc-167832, 1883747-71-4, 1pqn78p4s3, 5-[[(3r,4r)-1-(4-chloro-2,6-difluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1h-quinolin-2-one, Quabodepistat
    Molecular Formula
    C21H20ClF3N2O4
    Molecular Weight
    456.8  g/mol
    InChI Key
    XZISSTDXPBUCJA-DYESRHJHSA-N
    FDA UNII
    1PQN78P4S3
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-[[(3R,4R)-1-(4-chloro-2,6-difluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
    2.1.2 InChI
    InChI=1S/C21H20ClF3N2O4/c22-11-7-14(24)20(15(25)8-11)27-6-5-21(30,17(28)9-27)10-31-16-3-2-13(23)19-12(16)1-4-18(29)26-19/h2-3,7-8,17,28,30H,1,4-6,9-10H2,(H,26,29)/t17-,21-/m1/s1
    2.1.3 InChI Key
    XZISSTDXPBUCJA-DYESRHJHSA-N
    2.1.4 Canonical SMILES
    C1CC(=O)NC2=C(C=CC(=C21)OCC3(CCN(CC3O)C4=C(C=C(C=C4F)Cl)F)O)F
    2.1.5 Isomeric SMILES
    C1CC(=O)NC2=C(C=CC(=C21)OC[C@@]3(CCN(C[C@H]3O)C4=C(C=C(C=C4F)Cl)F)O)F
    2.2 Other Identifiers
    2.2.1 UNII
    1PQN78P4S3
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Unii-1pqn78p4s3

    2. Opc-167832

    3. 1883747-71-4

    4. 1pqn78p4s3

    5. 5-[[(3r,4r)-1-(4-chloro-2,6-difluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1h-quinolin-2-one

    6. Quabodepistat

    7. Quabodepistat [inn]

    8. Schembl17543112

    9. Hy-134940

    10. Cs-0167322

    11. 2(1h)-quinolinone, 5-(((3r,4r)-1-(4-chloro-2,6-difluorophenyl)-3,4-dihydroxy-4-piperidinyl)methoxy)-8-fluoro-3,4-dihydro-

    2.4 Create Date
    2016-04-09
    3 Chemical and Physical Properties
    Molecular Weight 456.8 g/mol
    Molecular Formula C21H20ClF3N2O4
    XLogP32.5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count4
    Exact Mass456.1063693 g/mol
    Monoisotopic Mass456.1063693 g/mol
    Topological Polar Surface Area82 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity652
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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