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    Flupentixol Decanoate

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    2D Structure
    Also known as: Flupenthixol decanoate, 30909-51-4, Flupentixol decanoate, (e)-, 55irh67u29, 201213-08-3, Decanoic acid, 2-(4-((3e)-3-(2-(trifluoromethyl)-9h-thioxanthen-9-ylidene)propyl)-1-piperazinyl)ethyl ester
    Molecular Formula
    C33H43F3N2O2S
    Molecular Weight
    588.8  g/mol
    InChI Key
    UIKWDDSLMBHIFT-UVHMKAGCSA-N
    FDA UNII
    55IRH67U29
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethyl decanoate
    2.1.2 InChI
    InChI=1S/C33H43F3N2O2S/c1-2-3-4-5-6-7-8-15-32(39)40-24-23-38-21-19-37(20-22-38)18-11-13-27-28-12-9-10-14-30(28)41-31-17-16-26(25-29(27)31)33(34,35)36/h9-10,12-14,16-17,25H,2-8,11,15,18-24H2,1H3/b27-13+
    2.1.3 InChI Key
    UIKWDDSLMBHIFT-UVHMKAGCSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCC(=O)OCCN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
    2.1.5 Isomeric SMILES
    CCCCCCCCCC(=O)OCCN1CCN(CC1)CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    55IRH67U29
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Depixol

    2. Flupenthixol Decanoate

    3. Flupenthixol Decanoate, (z)-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. Flupenthixol Decanoate

    2. 30909-51-4

    3. Flupentixol Decanoate, (e)-

    4. 55irh67u29

    5. 201213-08-3

    6. Decanoic Acid, 2-(4-((3e)-3-(2-(trifluoromethyl)-9h-thioxanthen-9-ylidene)propyl)-1-piperazinyl)ethyl Ester

    7. Decanoic Acid, 2-(4-(3-(2-(trifluoromethyl)-9h-thioxanthen-9-ylidene)propyl)-1-piperazinyl)ethyl Ester, (e)-

    8. Einecs 250-385-6

    9. Unii-3b2fe28c1w

    10. (e)-flupentixol Decanoate

    11. 2-(4-(3-(2-trifluoromethyl-9-thioxanthenylidene)propyl)-1-piper Azinyl)ethyl Decanoate

    12. Unii-55irh67u29

    13. 3b2fe28c1w

    14. Dtxsid10897160

    15. Akos015961763

    16. 2-(4-(3-(2-(trifluoromethyl)-9h-thioxanthen-9-ylidene)propyl)-1-piperazinyl)ethyl Decanoate

    17. 2-[4-[(3e)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethyl Decanoate

    18. Ncgc00532514-01

    19. Ac-15023

    20. Q27896316

    2.4 Create Date
    2006-04-28
    3 Chemical and Physical Properties
    Molecular Weight 588.8 g/mol
    Molecular Formula C33H43F3N2O2S
    XLogP39.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count15
    Exact Mass588.29973428 g/mol
    Monoisotopic Mass588.29973428 g/mol
    Topological Polar Surface Area58.1 Ų
    Heavy Atom Count41
    Formal Charge0
    Complexity815
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Dopamine Antagonists

    Drugs that bind to but do not activate DOPAMINE RECEPTORS, thereby blocking the actions of dopamine or exogenous agonists. Many drugs used in the treatment of psychotic disorders (ANTIPSYCHOTIC AGENTS) are dopamine antagonists, although their therapeutic effects may be due to long-term adjustments of the brain rather than to the acute effects of blocking dopamine receptors. Dopamine antagonists have been used for several other clinical purposes including as ANTIEMETICS, in the treatment of Tourette syndrome, and for hiccup. Dopamine receptor blockade is associated with NEUROLEPTIC MALIGNANT SYNDROME. (See all compounds classified as Dopamine Antagonists.)

    Tranquilizing Agents

    A traditional grouping of drugs said to have a soothing or calming effect on mood, thought, or behavior. Included here are the ANTI-ANXIETY AGENTS (minor tranquilizers), ANTIMANIC AGENTS, and the ANTIPSYCHOTIC AGENTS (major tranquilizers). These drugs act by different mechanisms and are used for different therapeutic purposes. (See all compounds classified as Tranquilizing Agents.)