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    Technical details about Flupirtine Gluconate, learn more about the structure, uses, toxicity, action, side effects and more

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    Flupirtine Gluconate

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    2D Structure
    Also known as: Flupirtine d-gluconate, 815586-85-7, D7np6cr89m, Ethyl n-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate;(2r,3s,4r,5r)-2,3,4,5,6-pentahydroxyhexanoic acid, Unii-d7np6cr89m, Katadolon (tn)
    Molecular Formula
    C21H29FN4O9
    Molecular Weight
    500.5  g/mol
    InChI Key
    KTUKTXYTLNEYHO-IFWQJVLJSA-N
    FDA UNII
    D7NP6CR89M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
    2.1.2 InChI
    InChI=1S/C15H17FN4O2.C6H12O7/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10;7-1-2(8)3(9)4(10)5(11)6(12)13/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20);2-5,7-11H,1H2,(H,12,13)/t;2-,3-,4+,5-/m.1/s1
    2.1.3 InChI Key
    KTUKTXYTLNEYHO-IFWQJVLJSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)NC1=C(N=C(C=C1)NCC2=CC=C(C=C2)F)N.C(C(C(C(C(C(=O)O)O)O)O)O)O
    2.1.5 Isomeric SMILES
    CCOC(=O)NC1=C(N=C(C=C1)NCC2=CC=C(C=C2)F)N.C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    D7NP6CR89M
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Flupirtine D-gluconate

    2. 815586-85-7

    3. D7np6cr89m

    4. Ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate;(2r,3s,4r,5r)-2,3,4,5,6-pentahydroxyhexanoic Acid

    5. Unii-d7np6cr89m

    6. Katadolon (tn)

    7. Schembl505354

    8. Dtxsid90231200

    9. Flupirtine Gluconate [who-dd]

    10. D07979

    11. Q27276218

    12. 105507-11-7

    13. D-gluconic Acid, Compd. With Ethyl (2-amino-6-(((4-fluorophenyl)methyl)amino)-3-pyridinyl)carbamate

    2.4 Create Date
    2007-12-04
    3 Chemical and Physical Properties
    Molecular Weight 500.5 g/mol
    Molecular Formula C21H29FN4O9
    Hydrogen Bond Donor Count9
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count11
    Exact Mass500.19185668 g/mol
    Monoisotopic Mass500.19185668 g/mol
    Topological Polar Surface Area228 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity521
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2