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    Naluzotan

    INTERMEDIATES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 740873-06-7, Prx-00023, Naluzotan (free base), Lq54e5b4ew, Chembl209821, Unii-lq54e5b4ew
    Molecular Formula
    C23H38N4O3S
    Molecular Weight
    450.6  g/mol
    InChI Key
    SPWZXWDPAWDKQE-UHFFFAOYSA-N
    FDA UNII
    LQ54E5B4EW
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[3-[4-[4-(cyclohexylmethylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide
    2.1.2 InChI
    InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)
    2.1.3 InChI Key
    SPWZXWDPAWDKQE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)NC1=CC(=CC=C1)N2CCN(CC2)CCCCNS(=O)(=O)CC3CCCCC3
    2.2 Other Identifiers
    2.2.1 UNII
    LQ54E5B4EW
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. N-(3-(4-(4-cyclohexylmethanesulfonylaminobutyl)piperazin-1-yl)phenyl)acetamide

    2. Prx 00023

    3. Prx-00023

    4. Prx00023

    2.3.2 Depositor-Supplied Synonyms

    1. 740873-06-7

    2. Prx-00023

    3. Naluzotan (free Base)

    4. Lq54e5b4ew

    5. Chembl209821

    6. Unii-lq54e5b4ew

    7. Acetamide, N-(3-(4-(4-(((cyclohexylmethyl)sulfonyl)amino)butyl)-1-piperazinyl)phenyl)-

    8. N-(3-(4-(4-(((cyclohexylmethyl)sulfonyl)amino)butyl)piperazin-1-yl)phenyl)acetamide

    9. N-(3-(4-(4-((cyclohexylmethyl)sulfonamido)butyl)piperazin-1-yl)phenyl)acetamide

    10. Naluzotan [usan]

    11. Naluzotan [usan:inn]

    12. N-(3-(4-(4-cyclohexylmethanesulfonylaminobutyl)piperazin-1-yl)phenyl)acetamide

    13. N-(3-[4-(4-cyclohexylmethanesulfonylaminobutyl)piperazin-1-yl]phenyl)acetamide

    14. N-[3-[4-[4-(cyclohexylmethylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide

    15. Prx 00023

    16. Naluzotan [inn]

    17. Naluzotan (usan/inn)

    18. Schembl678016

    19. Dtxsid40995527

    20. Bcp20177

    21. Prx00023

    22. Zinc3963096

    23. Bdbm50187377

    24. Cs-6740

    25. Db05562

    26. Sb16847

    27. Hy-14848

    28. Db-115004

    29. D09358

    30. 833c676

    31. L001689

    32. Q6961039

    33. N-(3-(4-(4-(cyclohexylmethylsulfonamido)butyl)piperazin-1-yl)phenyl)acetamide

    34. N-[3-[4-[4-[(cyclohexylmethylsulfonyl)amino]butyl]piperazin-1-yl]phenyl]acetamide

    35. N-{3-[4-(4-cyclohexylmethanesulfonylamino-butyl)-piperazin-1-yl]-phenyl}-acetamide

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 450.6 g/mol
    Molecular Formula C23H38N4O3S
    XLogP33.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count10
    Exact Mass450.26646226 g/mol
    Monoisotopic Mass450.26646226 g/mol
    Topological Polar Surface Area90.1 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity638
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Investigated for use/treatment in anxiety disorders and depression.

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Serotonin 5-HT1 Receptor Agonists

    Endogenous compounds and drugs that specifically stimulate SEROTONIN 5-HT1 RECEPTORS. Included under this heading are agonists for one or more of the specific 5-HT1 receptor subtypes. (See all compounds classified as Serotonin 5-HT1 Receptor Agonists.)