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    Zuclopenthixol Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

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    PharmaCompass
    $ API Ref.Price (USD/KG) : 11,016Xls

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    2D Structure
    Also known as: Mls002154089, Nsc329015, Nsc-329015, Smr001233397, Clopenthixol dihydrochloride, Chlorpenthixol dihydrochloride
    Molecular Formula
    C22H26Cl2N2OS
    Molecular Weight
    437.4  g/mol
    InChI Key
    BUVIOIVVDWLSMQ-CVIBNLPVSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol;hydrochloride
    2.1.2 InChI
    InChI=1S/C22H25ClN2OS.ClH/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26;/h1-2,4-8,16,26H,3,9-15H2;1H/b18-5-;
    2.1.3 InChI Key
    BUVIOIVVDWLSMQ-CVIBNLPVSA-N
    2.1.4 Canonical SMILES
    C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.Cl
    2.1.5 Isomeric SMILES
    C1CN(CCN1CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Mls002154089

    2. Nsc329015

    3. Nsc-329015

    4. Smr001233397

    5. Clopenthixol Dihydrochloride

    6. Chlorpenthixol Dihydrochloride

    7. Fda 0199

    8. Nsc64087

    9. Nsc-64087

    10. W 2304

    11. Schembl1230995

    12. Chembl1437855

    13. Hms1571g17

    14. 4-[3-(2-chlorothioxanthen-9-ylidene)propyl]-1-piperazineethanol Dihydrochloride

    15. Sr-01000838824

    16. Sr-01000838824-2

    2.3 Create Date
    2008-12-16
    3 Chemical and Physical Properties
    Molecular Weight 437.4 g/mol
    Molecular Formula C22H26Cl2N2OS
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass436.1142900 g/mol
    Monoisotopic Mass436.1142900 g/mol
    Topological Polar Surface Area52 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity509
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2