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    Zuclopenthixol Decanoate

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

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    $ API Ref.Price (USD/KG) : 10,774Xls

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    2D Structure
    Also known as: 64053-00-5, Tss9kiz5og, 2-[4-[(3z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl decanoate, Clopixol depot, Unii-tss9kiz5og, Clopixol depot (tn)
    Molecular Formula
    C32H43ClN2O2S
    Molecular Weight
    555.2  g/mol
    InChI Key
    QRUAPADZILXULG-WKIKZPBSSA-N
    FDA UNII
    TSS9KIZ5OG
    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]ethyl decanoate
    2.1.2 InChI
    InChI=1S/C32H43ClN2O2S/c1-2-3-4-5-6-7-8-15-32(36)37-24-23-35-21-19-34(20-22-35)18-11-13-27-28-12-9-10-14-30(28)38-31-17-16-26(33)25-29(27)31/h9-10,12-14,16-17,25H,2-8,11,15,18-24H2,1H3/b27-13-
    2.1.3 InChI Key
    QRUAPADZILXULG-WKIKZPBSSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCC(=O)OCCN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
    2.1.5 Isomeric SMILES
    CCCCCCCCCC(=O)OCCN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    TSS9KIZ5OG
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 64053-00-5

    2. Tss9kiz5og

    3. 2-[4-[(3z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl Decanoate

    4. Clopixol Depot

    5. Unii-tss9kiz5og

    6. Clopixol Depot (tn)

    7. Schembl1651217

    8. Cis-clopenthixol Decanoate

    9. Chebi:177690

    10. (z)-clopenthixol Decanoate

    11. Dtxsid201018303

    12. Clopenthixol Decanoate, Cis-

    13. Zinc56898828

    14. Akos015843136

    15. Zuclopenthixol Decanoate [mart.]

    16. Ncgc00522029-01

    17. Zuclopenthixol Decanoate [who-dd]

    18. Decanoic Acid, 2-(4-(3-(2-chloro-9h-thioxanthen-9-ylidene)propyl)-1-piperazinyl)ethyl Ester, (z)-

    19. D08692

    20. Zuclopenthixol Decanoate [ep Monograph]

    21. Q27290283

    22. Decanoic Acid, 2-(4-((3z)-3-(2-chloro-9h-thioxanthen-9-ylidene)propyl)-1-piperazinyl)ethyl Ester

    2.4 Create Date
    2006-04-29
    3 Chemical and Physical Properties
    Molecular Weight 555.2 g/mol
    Molecular Formula C32H43ClN2O2S
    XLogP39
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count15
    Exact Mass554.2733775 g/mol
    Monoisotopic Mass554.2733775 g/mol
    Topological Polar Surface Area58.1 Ų
    Heavy Atom Count38
    Formal Charge0
    Complexity726
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1