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    Chiglitazar Sodium

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    PharmaCompass
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    2D Structure
    Also known as: 1959588-75-0, Chiglitazar sodium, (+/-)-, 95ky7g69xv, Dl-tyrosine, o-(2-(9h-carbazol-9-yl)ethyl)-n-(2-(4-fluorobenzoyl)phenyl)-, sodium, Tyrosine, o-(2-(9h-carbazol-9-yl)ethyl)-n-(2-(4-fluorobenzoyl)phenyl)-, sodium salt (1:1), Unii-95ky7g69xv
    Molecular Formula
    C36H28FN2NaO4
    Molecular Weight
    594.6  g/mol
    InChI Key
    RMVIEXHXRDCWBT-UHFFFAOYSA-M
    FDA UNII
    95KY7G69XV
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-[2-(4-fluorobenzoyl)anilino]propanoate
    2.1.2 InChI
    InChI=1S/C36H29FN2O4.Na/c37-26-17-15-25(16-18-26)35(40)30-9-1-4-10-31(30)38-32(36(41)42)23-24-13-19-27(20-14-24)43-22-21-39-33-11-5-2-7-28(33)29-8-3-6-12-34(29)39;/h1-20,32,38H,21-23H2,(H,41,42);/q;+1/p-1
    2.1.3 InChI Key
    RMVIEXHXRDCWBT-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C3=CC=CC=C3N2CCOC4=CC=C(C=C4)CC(C(=O)[O-])NC5=CC=CC=C5C(=O)C6=CC=C(C=C6)F.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    95KY7G69XV
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1959588-75-0

    2. Chiglitazar Sodium, (+/-)-

    3. 95ky7g69xv

    4. Dl-tyrosine, O-(2-(9h-carbazol-9-yl)ethyl)-n-(2-(4-fluorobenzoyl)phenyl)-, Sodium

    5. Tyrosine, O-(2-(9h-carbazol-9-yl)ethyl)-n-(2-(4-fluorobenzoyl)phenyl)-, Sodium Salt (1:1)

    6. Unii-95ky7g69xv

    7. Carfloglitazar Sodium [who-dd]

    8. Schembl23086249

    9. 3-(4-(2-(9h-carbazol-9-yl)ethoxy)phenyl)-2-((2-(4-fluorobenzoyl)phenyl)amino)propanoic Acid Sodium Salt

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 594.6 g/mol
    Molecular Formula C36H28FN2NaO4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count11
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area83.4
    Heavy Atom Count44
    Formal Charge0
    Complexity902
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2