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    Centhaquine

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: Centhaquin, 57961-90-7, Compound-7173, Pmz-2010, Centhaquine [usan], Centhaquine;pmz-2010
    Molecular Formula
    C22H25N3
    Molecular Weight
    331.5  g/mol
    InChI Key
    UJNWGFBJUHIJKK-UHFFFAOYSA-N
    FDA UNII
    QD4VI0J9T5
    Centhaquine is under investigation in clinical trial NCT04045327 (Efficacy of PMZ-2010 (Centhaquine) a Resuscitative Agent for Hypovolemic Shock).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]quinoline
    2.1.2 InChI
    InChI=1S/C22H25N3/c1-18-5-4-7-21(17-18)25-15-13-24(14-16-25)12-11-20-10-9-19-6-2-3-8-22(19)23-20/h2-10,17H,11-16H2,1H3
    2.1.3 InChI Key
    UJNWGFBJUHIJKK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=CC=C1)N2CCN(CC2)CCC3=NC4=CC=CC=C4C=C3
    2.2 Other Identifiers
    2.2.1 UNII
    QD4VI0J9T5
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(bis(2-quinolyl)ethyl)-4-m-tolylpiperazine

    2. Centhaquin

    2.3.2 Depositor-Supplied Synonyms

    1. Centhaquin

    2. 57961-90-7

    3. Compound-7173

    4. Pmz-2010

    5. Centhaquine [usan]

    6. Centhaquine;pmz-2010

    7. Qd4vi0j9t5

    8. 2-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]quinoline

    9. Pmz2010

    10. 2-(2-(4-(m-tolyl)piperazin-1-yl)ethyl)quinoline

    11. Quinoline, 2-(2-(4-(3-methylphenyl)-1-piperazinyl)ethyl)-

    12. Compound 7173

    13. Brn 0563681

    14. 2-(2-(4-(3-methylphenyl)piperazin-1-yl)ethyl)quinoline

    15. 1-(beta(2-quinolyl)ethyl)-4-m-tolylpiperazine

    16. 2-(2-(4-(3-methylphenyl)-1-piperazinyl)ethyl)quinoline

    17. Centhaquine [inn]

    18. Unii-qd4vi0j9t5

    19. Zinc1105

    20. Chembl4594437

    21. Schembl10029638

    22. Dtxsid40206680

    23. Bcp31600

    24. Centhaquin (centhaquine,pmz-2010)

    25. Who 11138

    26. Sb18795

    27. Ac-35784

    28. Hy-106690

    29. Cs-0026357

    30. 1-(bis(2-quinolyl)ethyl)-4-m-tolylpiperazine

    31. 2-(2-(4-m-tolylpiperazin-1-yl)ethyl)quinoline

    32. Pmz-2010; Pmz2010; Pmz 2010; Compound 7173

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 331.5 g/mol
    Molecular Formula C22H25N3
    XLogP34.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass331.204847810 g/mol
    Monoisotopic Mass331.204847810 g/mol
    Topological Polar Surface Area19.4 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity404
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1