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    Cerlapirdine

    INTERMEDIATES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Sam-531, 925448-93-7, Way-262531, Pf-05212365, Cerlapirdine [usan], N,n-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-2h-indazol-5-yl)oxy]propan-1-amine
    Molecular Formula
    C22H23N3O3S
    Molecular Weight
    409.5  g/mol
    InChI Key
    NXQGEDVQXVTCDA-UHFFFAOYSA-N
    FDA UNII
    EK40PJ0V49
    Cerlapirdine has been investigated for the treatment of Alzheimer Disease.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]propan-1-amine
    2.1.2 InChI
    InChI=1S/C22H23N3O3S/c1-25(2)13-6-14-28-17-11-12-20-19(15-17)22(24-23-20)29(26,27)21-10-5-8-16-7-3-4-9-18(16)21/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,23,24)
    2.1.3 InChI Key
    NXQGEDVQXVTCDA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(C)CCCOC1=CC2=C(NN=C2C=C1)S(=O)(=O)C3=CC=CC4=CC=CC=C43
    2.2 Other Identifiers
    2.2.1 UNII
    EK40PJ0V49
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Sam-531

    2. Way-262531

    2.3.2 Depositor-Supplied Synonyms

    1. Sam-531

    2. 925448-93-7

    3. Way-262531

    4. Pf-05212365

    5. Cerlapirdine [usan]

    6. N,n-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-2h-indazol-5-yl)oxy]propan-1-amine

    7. Sam-531 Free Base

    8. Ek40pj0v49

    9. 925448-93-7 (free Base)

    10. Cerlapirdine (usan)

    11. Way-262,531

    12. N,n-dimethyl-3-((3-(naphthalen-1-ylsulfonyl)-2h-indazol-5-yl)oxy)propan-1-amine

    13. Cerlapirdine [usan:inn]

    14. Unii-ek40pj0v49

    15. Sam531

    16. Sam 531

    17. Pf-5212365

    18. Cerlapirdine [inn]

    19. Cerlapirdine [who-dd]

    20. Gtpl7356

    21. Schembl3534330

    22. Chembl2103880

    23. Schembl21381542

    24. Dtxsid201137232

    25. Db12229

    26. Hy-14431

    27. Cs-0003354

    28. D10099

    29. Q5064514

    30. Dimethyl-{3-[3-(naphthalene-1-sulfonyl)-1h-indazol-5-yloxy]-propyl}-amine

    31. 1-propanamine, N,n-dimethyl-3-((3-(1-naphthalenylsulfonyl)-1h-indazol-5-yl)oxy)-

    32. N,n-dimethyl-3-((3-((naphthalen-1-yl)sulfonyl)-1h-indazol-5-yl)oxy)propan-1-amine

    33. N,n-dimethyl-3-((3-(1-naphthylsulfonyl)-1h-indazol-5-yl)oxy)propan-1-amine

    34. N,n-dimethyl-3-((3-(naphthalen-1-ylsulfonyl)-1h-indazol-5-yl)oxy)propan-1-amine

    2.4 Create Date
    2007-06-04
    3 Chemical and Physical Properties
    Molecular Weight 409.5 g/mol
    Molecular Formula C22H23N3O3S
    XLogP34.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count7
    Exact Mass409.14601278 g/mol
    Monoisotopic Mass409.14601278 g/mol
    Topological Polar Surface Area83.7 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity636
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1