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    Technical details about CAS 119770-60-4, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 119770-60-4

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    2D Structure
    1. Also known as: 119770-60-4, 107256-31-5, 3-[2-(3-chlorophenyl)ethyl]-2-pyridyl 1-methyl-4-piperidyl ketone hydrochloride, (1-methyl-4-piperidinyl)[3-[2-(3-chlorophenyl)ethyl]pyridinyl]methanone hydrochloride, [3-[2-(3-chlorophenyl)ethyl]pyridin-2-yl]-(1-methylpiperidin-4-yl)methanone;hydrochloride, 3-[2-(3-chlorophenyl)ethyl]-2-pyridinyl-(1-methyl-4-piperidinyl)methanone hydrochloride
    Molecular Formula
    C20H24Cl2N2O
    Molecular Weight
    379.3  g/mol
    InChI Key
    YDOROGMYGIAIPT-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [3-[2-(3-chlorophenyl)ethyl]pyridin-2-yl]-(1-methylpiperidin-4-yl)methanone;hydrochloride
    2.1.2 InChI
    InChI=1S/C20H23ClN2O.ClH/c1-23-12-9-17(10-13-23)20(24)19-16(5-3-11-22-19)8-7-15-4-2-6-18(21)14-15;/h2-6,11,14,17H,7-10,12-13H2,1H3;1H
    2.1.3 InChI Key
    YDOROGMYGIAIPT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1CCC(CC1)C(=O)C2=C(C=CC=N2)CCC3=CC(=CC=C3)Cl.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 119770-60-4

    2. 107256-31-5

    3. 3-[2-(3-chlorophenyl)ethyl]-2-pyridyl 1-methyl-4-piperidyl Ketone Hydrochloride

    4. (1-methyl-4-piperidinyl)[3-[2-(3-chlorophenyl)ethyl]pyridinyl]methanone Hydrochloride

    5. [3-[2-(3-chlorophenyl)ethyl]pyridin-2-yl]-(1-methylpiperidin-4-yl)methanone;hydrochloride

    6. 3-[2-(3-chlorophenyl)ethyl]-2-pyridinyl-(1-methyl-4-piperidinyl)methanone Hydrochloride

    7. 1-(methyl-4-piperidinyl)-(3-(2-(3-chlorophenyl)ethyl)-2-pyridinyl) Methanone Hydrochloride

    8. Methanone, [3-[2-(3-chlorophenyl)ethyl]-2-pyridinyl](1-methyl-4-piperidinyl)-, Hydrochloride (1:1)

    9. Loratadine Ketone

    10. Schembl7671363

    11. Akos005217016

    12. 770c604

    13. (1-methyl-4-piperidinyl)[3-[ 2-(3-chlorophenyl)ethyl]-2-pyridinyl]methanone Hydrochloride

    14. (1-methyl-4-piperidinyl)[3-[2-( 3-chlorophenyl)ethyl]-2-pyridinyl]methanone Hydrochloride

    15. [3-[2-(3-chlorophenyl) Ethyl]-2-pyridinyl]-1-methyl-4-piperidinyl Methanone Hydrochloride

    16. [3-[2-(3-chlorophenyl)ethyl]-2-pyridinyl]-1-methyl-4-piperidinyl Methanone Hydrochloride

    17. Loratadine Impurity ((1-methyl-4-piperidinyl)[3-[2-(3-chlorophenyl)ethyl]pyridinyl]methanone)

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 379.3 g/mol
    Molecular Formula C20H24Cl2N2O
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass378.1265688 g/mol
    Monoisotopic Mass378.1265688 g/mol
    Topological Polar Surface Area33.2 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity408
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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