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    Thiethylperazine Maleate

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: Thiethylperazine maleate, Tresten, Torecan maleate, 1179-69-7, Torecan bimaleate, Thiethylperazine maleate (200 mg)
    Molecular Formula
    C26H33N3O4S2
    Molecular Weight
    515.7  g/mol
    InChI Key
    FBZFLZSBKWFFRD-BTJKTKAUSA-N
    Thiethylperazine Maleate is the maleate salt form of triethylperazine, a piperazine phenothiazine derivative and a dopamine antagonist used as antiemetic. Thiethylperazine blocks postsynaptic dopamine 2 (D2) receptors in the medullary chemoreceptor trigger zone (CTZ), thereby decreasing stimulation of the vomiting center in the brain. Peripherally, thiethylperazine blocks the vagus nerve in the gastrointestinal tract. In addition, this agent also shows antagonistic activities mediated through muscarinic receptors, H1-receptors, and alpha(1)-receptors.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (Z)-but-2-enedioic acid;2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
    2.1.2 InChI
    InChI=1S/C22H29N3S2.C4H4O4/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24;5-3(6)1-2-4(7)8/h4-5,7-10,17H,3,6,11-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
    2.1.3 InChI Key
    FBZFLZSBKWFFRD-BTJKTKAUSA-N
    2.1.4 Canonical SMILES
    CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C.C(=CC(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C.C(=C\C(=O)O)\C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Thiethylperazine Maleate

    2. Tresten

    3. Torecan Maleate

    4. 1179-69-7

    5. Torecan Bimaleate

    6. Thiethylperazine Maleate (200 Mg)

    7. (z)-but-2-enedioic Acid;2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine

    8. Nsc130044

    9. Thiethylperazinmaleat

    10. Phenothiazine, Dimaleate

    11. Phenothiazine, Maleate(1:2)

    12. Gs95

    13. Chembl1200856

    14. Schembl10624613

    15. Gs 95

    16. 3-[(4-chlorophenyl)carbamoyl]benzeneboronicacid

    17. 10h-phenothiazine, (z)-2-butenedioate (1:2)

    18. 10h-phenothiazine, (z)-, 2-butenedioate (1:2)

    19. Wln: T C666 Bn Isj Es2 B3- At6n Dntj D1 &ov1u1vo

    20. 2-(ethylmercapto)-10-[3-(1-methyl-4-piperazinyl)propyl]phenothiazine Dimaleate

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 515.7 g/mol
    Molecular Formula C26H33N3O4S2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count8
    Exact Mass515.19124889 g/mol
    Monoisotopic Mass515.19124889 g/mol
    Topological Polar Surface Area135 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity574
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2