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    Fedotozine Tartrate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 133267-27-3, Fedotozine d(-)-tartrate, 3yj57f78wm, Jo 1196, (2s,3s)-2,3-dihydroxybutanedioic acid;(2r)-n,n-dimethyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine, Unii-3yj57f78wm
    Molecular Formula
    C26H37NO10
    Molecular Weight
    523.6  g/mol
    InChI Key
    DBDCBFOPBBFVQC-NNFXRGIZSA-N
    FDA UNII
    3YJ57F78WM
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3S)-2,3-dihydroxybutanedioic acid;(2R)-N,N-dimethyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine
    2.1.2 InChI
    InChI=1S/C22H31NO4.C4H6O6/c1-7-22(23(2)3,18-11-9-8-10-12-18)16-27-15-17-13-19(24-4)21(26-6)20(14-17)25-5;5-1(3(7)8)2(6)4(9)10/h8-14H,7,15-16H2,1-6H3;1-2,5-6H,(H,7,8)(H,9,10)/t22-;1-,2-/m00/s1
    2.1.3 InChI Key
    DBDCBFOPBBFVQC-NNFXRGIZSA-N
    2.1.4 Canonical SMILES
    CCC(COCC1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C.C(C(C(=O)O)O)(C(=O)O)O
    2.1.5 Isomeric SMILES
    CC[C@](COCC1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    3YJ57F78WM
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 133267-27-3

    2. Fedotozine D(-)-tartrate

    3. 3yj57f78wm

    4. Jo 1196

    5. (2s,3s)-2,3-dihydroxybutanedioic Acid;(2r)-n,n-dimethyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine

    6. Unii-3yj57f78wm

    7. Dtxsid00158035

    8. Akos015962851

    9. Jo-1196

    10. Fedotozine D(-)-tartrate [mi]

    11. Ac-19010

    12. E98668

    13. Q27258205

    14. Dimethyl-[(r)-1-phenyl-1-(3,4,5-trimethoxy-benzyloxymethyl)-propyl]-amine Tartrate

    15. Benzenemethanamine, Alpha.-ethyl-n,n-dimethyl-alpha.-(((3,4,5-trimethoxyphenyl)methoxy)methyl)-, (r)-, (s-(r*,r*))-2,3-dihydroxybutanedioate (1:1)

    2.4 Create Date
    2006-07-28
    3 Chemical and Physical Properties
    Molecular Weight 523.6 g/mol
    Molecular Formula C26H37NO10
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count13
    Exact Mass523.24174638 g/mol
    Monoisotopic Mass523.24174638 g/mol
    Topological Polar Surface Area155 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity533
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2