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    NEDOCROMIL ,Tilade ,Nedocromilum [Latin],Nedocromilo [Spanish],Nedocro

  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    NEDOCROMIL
    Tilade
    Nedocromilum [Latin]
    Nedocromilo [Spanish]
    Nedocromil (USAN)
    Nedocromil, Disodium Salt
    Nedocromil [USAN:BAN:INN]
    C19H17NO7
    FPL 59002
    Nedocromil, Calcium Salt (1:1)

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight371.34078 [g/mol]
    Molecular FormulaC19H17NO7
    XLogP2.6
    H-Bond Donor2
    H-Bond Acceptor8
    Rotatable Bond Count5
    Exact Mass371.100502
    MonoIsotopic Mass371.100502
    Topological Polar Surface Area121
    Heavy Atom Count27
    Formal Charge0
    Complexity753
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 9-ethyl-4,6-dioxo-10-propylpyrano[5,6-g]quinoline-2,8-dicarboxylic acid
    Canonical SMILES: CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=O)C=C(N2CC)C(=O)O
    InChI: InChI=1/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14
    (22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)/f/h23,
    25H

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