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    CAS 627502-58-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 136401-69-9, (5z)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione, 6se873co82, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzylidene]-2,4-thiazolidinedione, (z)-5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzylidene)thiazolidine-2,4-dione, 5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]-2-imino-4-thiazoldione
    Molecular Formula
    C19H18N2O3S
    Molecular Weight
    354.4  g/mol
    InChI Key
    YNTUJOCADSTMCL-BOPFTXTBSA-N
    FDA UNII
    6SE873CO82
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (5Z)-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-BOPFTXTBSA-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 Other Identifiers
    2.2.1 UNII
    6SE873CO82
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 136401-69-9

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

    3. 6se873co82

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

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

    6. 5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]-2-imino-4-thiazoldione

    7. (5z)-5-((4-(2-(5-ethylpyridin-2-yl)ethoxy)phenyl)methylene)thiazolidine-2,4-dione

    8. 2,4-thiazolidinedione, 5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)methylene)-, (5z)-

    9. (5z)-didehydropioglitazone

    10. Unii-6se873co82

    11. Schembl2002766

    12. Schembl2002770

    13. 5-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzylidene]-2,4-thiazolidinedione

    14. Akos015964231

    15. Ac-4718

    16. As-13104

    17. A3141

    18. Pioglitazone Hydrochloride Specified Impurity B [ep]

    19. Q27265442

    20. Pioglitazone Hydrochloride Impurity B [ep Impurity]

    21. Pioglitazone Hydrochloride Impurity, Didehydropioglitazone- [usp]

    22. 5-[(z)-4-[2-(5-ethyl-2-pyridyl)ethoxy]benzylidene]thiazolidine-2,4-dione

    23. (5e)-5-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzylidene]thiazolidine-2,4-dione

    24. (e)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzylidene}thiazolidine- 2,4-dione

    25. 2,4-thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylene]-

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

    27. Pioglitazone Hydrochloride Impurity, Didehydropioglitazone- [usp Impurity]

    28. 5-{4-[2-(5-ethyl-2-pyridinyl)ethoxyl]benzyldene}-2,4-thiazolidinedione;5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzylidene)thiazolidine-2,4-dione

    2.4 Create Date
    2006-10-26
    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 Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area93.6
    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