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    Lesopitron Dihydrochloride

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 132449-89-9, Lesopitron (dihydrochloride), E-4424, 4t5l4t8473, 132449-89-9 (lesopitron hcl), Pyrimidine, 2-(4-(4-(4-chloro-1h-pyrazol-1-yl)butyl)-1-piperazinyl)-, dihydrochloride
    Molecular Formula
    C15H23Cl3N6
    Molecular Weight
    393.7  g/mol
    InChI Key
    RGDLQJUAYQRGBC-UHFFFAOYSA-N
    FDA UNII
    4T5L4T8473
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[4-[4-(4-chloropyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine;dihydrochloride
    2.1.2 InChI
    InChI=1S/C15H21ClN6.2ClH/c16-14-12-19-22(13-14)7-2-1-6-20-8-10-21(11-9-20)15-17-4-3-5-18-15;;/h3-5,12-13H,1-2,6-11H2;2*1H
    2.1.3 InChI Key
    RGDLQJUAYQRGBC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1CCCCN2C=C(C=N2)Cl)C3=NC=CC=N3.Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    4T5L4T8473
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-(4-(4-(4-chloro-1-pyrazolyl)butyl)-1-piperazinyl)pyrimidine

    2. E 4424

    3. E-4424

    4. E4424

    5. Lesopitron

    2.3.2 Depositor-Supplied Synonyms

    1. 132449-89-9

    2. Lesopitron (dihydrochloride)

    3. E-4424

    4. 4t5l4t8473

    5. 132449-89-9 (lesopitron Hcl)

    6. Pyrimidine, 2-(4-(4-(4-chloro-1h-pyrazol-1-yl)butyl)-1-piperazinyl)-, Dihydrochloride

    7. 2-(4-(4-(4-chloro-1h-pyrazol-1-yl)butyl)piperazin-1-yl)pyrimidine Dihydrochloride

    8. Unii-4t5l4t8473

    9. E 4424

    10. 2-(4-(4-(4-chloro-1h-pyrazol-1-yl)butyl)-1-piperazinyl)pyrimidine Dihydrochloride

    11. Schembl1822413

    12. Dtxsid00157588

    13. Cs-6845

    14. Lesopitron Dihydrochloride [mi]

    15. Hy-101609

    16. Q27260460

    17. 2-[4-[4-(4-chloropyrazol-1-yl)butyl]piperazin-1-yl]pyrimidine;dihydrochloride

    18. Pyrimidine, 2-(4-(4-(4-chloro-1h-pyrazol-1-yl)butyl)-1-piperazinyl)-, Hydrochloride (1:2)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 393.7 g/mol
    Molecular Formula C15H23Cl3N6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass392.104978 g/mol
    Monoisotopic Mass392.104978 g/mol
    Topological Polar Surface Area50.1 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity317
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3