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    CAS 144809-28-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 144809-28-9, 136401-70-2, 5-{4-[2-(5-ethyl-2-pyridinyl)ethoxyl]benzyldene}-2,4-thiazolidinedione, 5-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzylidene]-2,4-thiazolidinedione, (e)-5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzylidene)thiazolidine-2,4-dione, 5-{4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzylidene}-thiazolidine-2,4-dione
    Molecular Formula
    C19H18N2O3S
    Molecular Weight
    354.4  g/mol
    InChI Key
    YNTUJOCADSTMCL-GZTJUZNOSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (5E)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
    2.1.2 InChI
    InChI=1S/C19H18N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,11-12H,2,9-10H2,1H3,(H,21,22,23)/b17-11+
    2.1.3 InChI Key
    YNTUJOCADSTMCL-GZTJUZNOSA-N
    2.1.4 Canonical SMILES
    CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)C=C3C(=O)NC(=O)S3
    2.1.5 Isomeric SMILES
    CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)/C=C/3\C(=O)NC(=O)S3
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Delta2-pioglitazone

    2.2.2 Depositor-Supplied Synonyms

    1. 144809-28-9

    2. 136401-70-2

    3. 5-{4-[2-(5-ethyl-2-pyridinyl)ethoxyl]benzyldene}-2,4-thiazolidinedione

    4. 5-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzylidene]-2,4-thiazolidinedione

    5. (e)-5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzylidene)thiazolidine-2,4-dione

    6. 5-{4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzylidene}-thiazolidine-2,4-dione

    7. (5e)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

    8. 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]-methylene]-2,4-thiazolidinedione(pioglitazone Impurity)

    9. 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]-methylene]-2,4-thiazolidinedione

    10. 5-[4-[2-(5-ethylpyridin-2-yl)ethoxy]benzylidene]thiazolidine-2,4-dione

    11. 5-(4-[2-(5-ethyl-2-pyridinyl)ethoxyl]benzyldene)-2,4-thiazolidinedione

    12. 5-[4-[2-(5-ethyl-2-pyridinyl)ethoxyl]benzyldene]-2,4-thiazolidinedione

    13. 5-(4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzylidene)-thiazolidine-2,4-dione

    14. 5-[4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzylidene]-thiazolidine-2,4-dione

    15. Pioglitazone Ep Impurity B

    16. Schembl1162295

    17. 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylene]-2,4-thiazolidinedione

    18. Act04261

    19. Mfcd06411145

    20. Zinc16696707

    21. Akos015895595

    22. Ac-2054

    23. Cs-0172219

    24. 401e702

    25. J-516614

    26. 5-(4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzyldene)-2,4-thiazolidinedione

    27. 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzylidene]-2,4-thiazolidinedione]

    28. 5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]benzylidene]thiazolidine-2,4-dione

    29. 5-{4-[2-(5-ethyl-2-pyridinyl)ethoxyl]benzyldene}- 2,4-thiazolidinedione

    30. 2,4-thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, Didehydro

    31. 5-[(e)-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylene]-2,4-thiazolidinedione

    32. 5-[[4-[2-(5-ethyl-2-pyridinyl) Ethoxy]phenyl] Methylene]2,4-thiazolidinedione

    33. 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylene]2,4-thiazolidinedione

    34. 5-[1-{4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-phenyl}-meth-(e)-ylidene]-thiazolidine-2,4-dione

    2.3 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 354.4 g/mol
    Molecular Formula C19H18N2O3S
    XLogP33.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass354.10381361 g/mol
    Monoisotopic Mass354.10381361 g/mol
    Topological Polar Surface Area93.6 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity515
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1