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    Also known as: 1-deoxy-1-(methylamino)hexitol, 6-(methylamino)hexane-1,2,3,4,5-pentol, D-(-)-n-methylglucamine, 90191-92-7, N-methyl-d-glucamine, 99%, (2r,3r,4r,5s)-6-methylaminohexane-1,2,3,4,5-pentol
    Molecular Formula
    C7H17NO5
    Molecular Weight
    195.21  g/mol
    InChI Key
    MBBZMMPHUWSWHV-UHFFFAOYSA-N
    Methylglucamine
    1-Deoxy-1-(methylamino)-D-glucitol. A derivative of sorbitol in which the hydroxyl group in position 1 is replaced by a methylamino group. Often used in conjunction with iodinated organic compounds as contrast medium.
    1 2D Structure

    Methylglucamine

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-(methylamino)hexane-1,2,3,4,5-pentol
    2.1.2 InChI
    InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3
    2.1.3 InChI Key
    MBBZMMPHUWSWHV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CNCC(C(C(C(CO)O)O)O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Meglumine

    2.2.2 Depositor-Supplied Synonyms

    1. 1-deoxy-1-(methylamino)hexitol

    2. 6-(methylamino)hexane-1,2,3,4,5-pentol

    3. D-(-)-n-methylglucamine

    4. 90191-92-7

    5. N-methyl-d-glucamine, 99%

    6. (2r,3r,4r,5s)-6-methylaminohexane-1,2,3,4,5-pentol

    7. Smr000387082

    8. Nsc 7391

    9. Nsc52907

    10. Nsc 52907

    11. N-methylglycamine

    12. Glucitol, 1-deoxy-1-(methylamino)-, D-

    13. 6-(methylamino)hexane-1,2,3,4,5-pentaol

    14. Prestwick0_000884

    15. Prestwick1_000884

    16. Prestwick2_000884

    17. Prestwick3_000884

    18. Schembl5584

    19. Bspbio_000668

    20. Mls001048885

    21. Mls006011915

    22. Spbio_002887

    23. Bpbio1_000736

    24. Chembl333195

    25. Meglumine N-methyl-d-glucamine

    26. Chebi:95217

    27. Dtxsid70859264

    28. Nsc7391

    29. Hms1570b10

    30. Hms2097b10

    31. Hms2267b12

    32. Hms3655b07

    33. 1-deoxy-1-(methylamino)hexitol #

    34. Bbl007602

    35. Mfcd00066771

    36. Stk801441

    37. Akos005068279

    38. 6-methylamino-1,2,3,4,5-hexanepentol

    39. Ncgc00179482-01

    40. 6-methylaminohexane-1,2,3,4,5-pentaol

    41. Vs-01687

    42. Db-055497

    43. Ab00513945

    44. Ft-0607695

    45. Ft-0655868

    46. Wurcs=2.0/1,1,0/[hxxxxh_1*nc]/1/

    47. Ab00513945-08

    48. Sr-01000758225

    49. Q-201347

    50. Sr-01000758225-2

    51. Q27167037

    2.3 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 195.21 g/mol
    Molecular Formula C7H17NO5
    XLogP3-2.8
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass195.11067264 g/mol
    Monoisotopic Mass195.11067264 g/mol
    Topological Polar Surface Area113 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity134
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count4
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Contrast Media

    Substances used to allow enhanced visualization of tissues. (See all compounds classified as Contrast Media.)

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