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  • Aminoglutethimide, d-,(R)-()-Aminoglutethimide,545872_ALDRICH,CGS 2396
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    Aminoglutethimide, d-
    (R)-()-Aminoglutethimide
    545872_ALDRICH
    CGS 2396
    ZINC01530856
    (+)-3-(4-Aminophenyl)-3-ethyl-2,6-piperidinedione
    2,6-Piperidinedione, 3-(4-aminophenyl)-3-ethyl-, (+)-
    2,6-Piperidinedione, 3-(4-aminophenyl)-3-ethyl-, (3R)-
    55511-44-9

    [Structure]
    Aminoglutethimide, d-,(R)-()-Aminoglutethimide,545872_ALDRICH,CGS 2396

    [ Properties Computed from Structure]
    Molecular Weight232.27834 [g/mol]
    Molecular FormulaC13H16N2O2
    XLogP1.3
    H-Bond Donor2
    H-Bond Acceptor3
    Rotatable Bond Count2
    Tautomer Count3
    Exact Mass232.121178
    MonoIsotopic Mass232.121178
    Topological Polar Surface Area72.2
    Heavy Atom Count17
    Formal Charge0
    Complexity321
    Isotope Atom Count0
    Defined Atom StereoCenter Count1
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: (3R)-3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione
    Canonical SMILES: CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N
    Isomeric SMILES: CC[C@@]1(CCC(=O)NC1=O)C2=CC=C(C=C2)N
    InChI: InChI=1/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-
    6H,2,7-8,14H2,1H3,(H,15,16,17)/t13-/m1/s1/f/h15H

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