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  • Filenadol ,Filenadol [INN],Filenadolum [INN-Latin],FI-2024,LS-92903,d,
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    Filenadol
    Filenadol [INN]
    Filenadolum [INN-Latin]
    FI-2024
    LS-92903
    d,l-erythro-1-(3,4-Methylenedioxyphenyl)-1-morpholinopropan-2-ol
    (R*,S*)-(+-)-beta-1,3-Benzodioxol-5-yl-alpha-methyl-4-morpholineethanol
    (+-)-erythro-alpha-Methyl-beta(3,4-(methylenedioxy)phenyl)-4-morpholineethanol
    (+-)-erythro-alpha-Methyl-beta-(3,4-(methylenedioxy)phenyl)-4-morpholineethanol
    4-Morpholineethanol, beta-1,3-benzodioxol-5-yl-alpha-methyl-, (R*,S*)-(+-)-

    [Structure]
    Filenadol ,Filenadol [INN],Filenadolum [INN-Latin],FI-2024,LS-92903,d,

    [ Properties Computed from Structure]
    Molecular Weight265.30496 [g/mol]
    Molecular FormulaC14H19NO4
    XLogP1
    H-Bond Donor1
    H-Bond Acceptor5
    Rotatable Bond Count3
    Exact Mass265.131408
    MonoIsotopic Mass265.131408
    Topological Polar Surface Area51.2
    Heavy Atom Count19
    Formal Charge0
    Complexity295
    Isotope Atom Count0
    Defined Atom StereoCenter Count2
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: (1R,2S)-1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol
    Canonical SMILES: CC(C(C1=CC2=C(C=C1)OCO2)N3CCOCC3)O
    Isomeric SMILES: C[C@@H]([C@@H](C1=CC2=C(C=C1)OCO2)N3CCOCC3)O
    InChI: InChI=1/C14H19NO4/c1-10(16)14(15-4-6-17-7-5-15)11-2-3-12-13(8-11)19-9-
    18-12/h2-3,8,10,14,16H,4-7,9H2,1H3/t10-,14-/m0/s1

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