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    Technical details about Fj-776, learn more about the structure, uses, toxicity, action, side effects and more

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    Fj-776

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: Mkt 077, Mkt-077, Fj-776, 147366-41-4, Sdz-mkt-077, Akos024458258
    Molecular Formula
    C21H22ClN3OS2
    Molecular Weight
    432.0  g/mol
    InChI Key
    VSKYOTRJSLYFHX-UXJRWBAGSA-M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2E,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;chloride
    2.1.2 InChI
    InChI=1S/C21H22N3OS2.ClH/c1-4-23-13-9-8-10-15(23)14-18-24(5-2)20(25)19(27-18)21-22(3)16-11-6-7-12-17(16)26-21;/h6-14H,4-5H2,1-3H3;1H/q+1;/p-1/b21-19+;
    2.1.3 InChI Key
    VSKYOTRJSLYFHX-UXJRWBAGSA-M
    2.1.4 Canonical SMILES
    CCN1C(=CC2=CC=CC=[N+]2CC)SC(=C3N(C4=CC=CC=C4S3)C)C1=O.[Cl-]
    2.1.5 Isomeric SMILES
    CCN1/C(=C\C2=CC=CC=[N+]2CC)/S/C(=C/3\N(C4=CC=CC=C4S3)C)/C1=O.[Cl-]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 1-ethyl-2-((3-ethyl-5-(3-methylbenzothiazolin-2-yliden))-4-oxothiazolidin-2-ylidenemethyl)pyridium Chloride

    2. Fj-776

    3. Mkt 077

    4. Mkt-077

    2.2.2 Depositor-Supplied Synonyms

    1. Mkt 077

    2. Mkt-077

    3. Fj-776

    4. 147366-41-4

    5. Sdz-mkt-077

    6. Akos024458258

    2.3 Create Date
    2006-07-28
    3 Chemical and Physical Properties
    Molecular Weight 432.0 g/mol
    Molecular Formula C21H22ClN3OS2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass431.0892824 g/mol
    Monoisotopic Mass431.0892824 g/mol
    Topological Polar Surface Area78 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity647
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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