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    N-Ethyl-D-Glucamine

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 14216-22-9, N-ethylglucamine, Eglumine, (2r,3r,4r,5s)-6-(ethylamino)hexane-1,2,3,4,5-pentaol, 1-deoxy-1-(ethylamino)-d-glucitol, N-ethyl glucamine
    Molecular Formula
    C8H19NO5
    Molecular Weight
    209.24  g/mol
    InChI Key
    IKXCHOUDIPZROZ-LXGUWJNJSA-N
    FDA UNII
    K94D9J0608
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3R,4R,5S)-6-(ethylamino)hexane-1,2,3,4,5-pentol
    2.1.2 InChI
    InChI=1S/C8H19NO5/c1-2-9-3-5(11)7(13)8(14)6(12)4-10/h5-14H,2-4H2,1H3/t5-,6+,7+,8+/m0/s1
    2.1.3 InChI Key
    IKXCHOUDIPZROZ-LXGUWJNJSA-N
    2.1.4 Canonical SMILES
    CCNCC(C(C(C(CO)O)O)O)O
    2.1.5 Isomeric SMILES
    CCNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    K94D9J0608
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 14216-22-9

    2. N-ethylglucamine

    3. Eglumine

    4. (2r,3r,4r,5s)-6-(ethylamino)hexane-1,2,3,4,5-pentaol

    5. 1-deoxy-1-(ethylamino)-d-glucitol

    6. N-ethyl Glucamine

    7. D-glucitol, 1-deoxy-1-(ethylamino)-

    8. (2r,3r,4r,5s)-6-(ethylamino)hexane-1,2,3,4,5-pentol

    9. K94d9j0608

    10. (2r,3r,4r,5s)-6-(ethylamino)-hexane-1,2,3,4,5-pentaol

    11. N-ethylglcae

    12. Einecs 238-073-8

    13. Ethylglucamine

    14. Mfcd03789564

    15. Unii-k94d9j0608

    16. D-n-ethylglucamin

    17. D-(-)-n-ethylglucamine

    18. Schembl123685

    19. Dtxsid30161956

    20. N-ethyl-d-glucamine, >=98.0%

    21. Zinc2511432

    22. Ac8067

    23. Akos015915241

    24. Ac-17086

    25. Ds-16295

    26. Am20080320

    27. Cs-0151979

    28. E0923

    29. Glucitol, 1-deoxy-1-(ethylamino)-, D-

    30. A807860

    31. Q-201461

    32. Q27282114

    33. 6-(ethylamino)hexane-1,2,3,4,5-pentol;(2r,3r,4r,5s)-6-(ethylamino)hexane-1,2,3,4,5-pentaol

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 209.24 g/mol
    Molecular Formula C8H19NO5
    XLogP3-2.5
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count7
    Exact Mass209.12632271 g/mol
    Monoisotopic Mass209.12632271 g/mol
    Topological Polar Surface Area113 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity146
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1