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    Alimemazine

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    2D Structure
    Also known as: Trimeprazine tartrate, 4330-99-8, Trimeprazine hemitartrate salt, Nsc-17475, Nsc-757358, Prestwick_144
    Molecular Formula
    C40H50N4O6S2
    Molecular Weight
    747.0  g/mol
    InChI Key
    AJZJIYUOOJLBAU-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,3-dihydroxybutanedioic acid;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
    2.1.2 InChI
    InChI=1S/2C18H22N2S.C4H6O6/c2*1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;5-1(3(7)8)2(6)4(9)10/h2*4-11,14H,12-13H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
    2.1.3 InChI Key
    AJZJIYUOOJLBAU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.C(C(C(=O)O)O)(C(=O)O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Temaril

    2. Theralen

    3. Theraline

    4. Trimeprazine Tartrate

    2.2.2 Depositor-Supplied Synonyms

    1. Trimeprazine Tartrate

    2. 4330-99-8

    3. Trimeprazine Hemitartrate Salt

    4. Nsc-17475

    5. Nsc-757358

    6. Prestwick_144

    7. Chembl3989885

    8. Hms1570j05

    9. Hms3714j05

    10. Trimeprazine Hemi-(+)-tartrate Salt

    11. Ccg-220842

    2.3 Create Date
    2006-04-14
    3 Chemical and Physical Properties
    Molecular Weight 747.0 g/mol
    Molecular Formula C40H50N4O6S2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count11
    Exact Mass746.31717767 g/mol
    Monoisotopic Mass746.31717767 g/mol
    Topological Polar Surface Area179 Ų
    Heavy Atom Count52
    Formal Charge0
    Complexity445
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count4
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Histamine H1 Antagonists

    Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood. (See all compounds classified as Histamine H1 Antagonists.)