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    Iotrolan

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    PATENTS & EXCLUSIVITIES

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Iotrol, 79770-24-4, Isovist, Osmovist, Isovist 300, Dl-3117
    Molecular Formula
    C37H48I6N6O18
    Molecular Weight
    1626.2  g/mol
    InChI Key
    XUHXFSYUBXNTHU-UHFFFAOYSA-N
    FDA UNII
    16FL47B687
    Nonionic, isotonic contrast medium designed for intrathecal use.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,4,6-triiodo-5-[methyl-[3-oxo-3-[2,4,6-triiodo-N-methyl-3,5-bis(1,3,4-trihydroxybutan-2-ylcarbamoyl)anilino]propanoyl]amino]-1-N,3-N-bis(1,3,4-trihydroxybutan-2-yl)benzene-1,3-dicarboxamide
    2.1.2 InChI
    InChI=1S/C37H48I6N6O18/c1-48(32-28(40)22(34(64)44-12(4-50)16(58)8-54)26(38)23(29(32)41)35(65)45-13(5-51)17(59)9-55)20(62)3-21(63)49(2)33-30(42)24(36(66)46-14(6-52)18(60)10-56)27(39)25(31(33)43)37(67)47-15(7-53)19(61)11-57/h12-19,50-61H,3-11H2,1-2H3,(H,44,64)(H,45,65)(H,46,66)(H,47,67)
    2.1.3 InChI Key
    XUHXFSYUBXNTHU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(C1=C(C(=C(C(=C1I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I)C(=O)CC(=O)N(C)C2=C(C(=C(C(=C2I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I
    2.2 Other Identifiers
    2.2.1 UNII
    16FL47B687
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Dl 3-117

    2. Dl 3117

    3. Dl-3-117

    4. Iotrol

    5. Isovist

    6. Isovist 300

    7. Osmovist

    2.3.2 Depositor-Supplied Synonyms

    1. Iotrol

    2. 79770-24-4

    3. Isovist

    4. Osmovist

    5. Isovist 300

    6. Dl-3117

    7. Compound Zk 39482

    8. Zk 39 482

    9. 1,3-benzenedicarboxamide, 5,5'-((1,3-dioxo-1,3-propanediyl)bis(methylimino))bis(n,n'-bis(2,3-dihydroxy-1-(hydroxymethyl)propyl)-2,4,6-triiodo-

    10. Iotrovist

    11. 16fl47b687

    12. 2,4,6-triiodo-5-[methyl-[3-oxo-3-[2,4,6-triiodo-n-methyl-3,5-bis(1,3,4-trihydroxybutan-2-ylcarbamoyl)anilino]propanoyl]amino]-1-n,3-n-bis(1,3,4-trihydroxybutan-2-yl)benzene-1,3-dicarboxamide

    13. 5,5'-(malonylbis(methylimino))bis(n,n'-bis(2,3-dihydroxy-1-(hydroxymethyl)propyl)-2,4,6-triiodoisophthalamide)

    14. Zk-39482

    15. Zk-39-482

    16. Iotrolanum [latin]

    17. Osmovist 190

    18. Osmovist 240

    19. Iotrolanum

    20. Iotrolum

    21. Iotrolum [inn-latin]

    22. Dl 3-117

    23. Sh 437

    24. Zk 39482

    25. Unii-16fl47b687

    26. Iotrolan(isovist)

    27. Iotrolan [usan:inn:ban:jan]

    28. Iotrolan [usan]

    29. Iotrolan [inn]

    30. Iotrolan [jan]

    31. Iotrolan [mi]

    32. Iotrolan [vandf]

    33. Isovist 300 (tn)

    34. Iotrolan [mart.]

    35. Iotrolan [who-dd]

    36. Schembl25535

    37. Iotrolan (jan/usan/inn)

    38. Iotrolan [orange Book]

    39. Iotrolan For System Suitability

    40. Iotrolan [ep Monograph]

    41. Chembl1200555

    42. Dtxsid0023165

    43. Chebi:31715

    44. Sh-l-437d

    45. Db09487

    46. Ft-0754152

    47. D01714

    48. 770i244

    49. Q6064149

    50. 5,5'-[(1,3-dioxopropane-1,3-diyl)bis(methylimino)]bis{n,n'-bis[2,3-dihydroxy-1-(hydroxymethyl)propyl]-2,4,6-triiodobenzene-1,3-dicarboxamide}

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 1626.2 g/mol
    Molecular Formula C37H48I6N6O18
    XLogP3-4.2
    Hydrogen Bond Donor Count16
    Hydrogen Bond Acceptor Count18
    Rotatable Bond Count24
    Exact Mass1625.7293 g/mol
    Monoisotopic Mass1625.7293 g/mol
    Topological Polar Surface Area400 Ų
    Heavy Atom Count67
    Formal Charge0
    Complexity1450
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count8
    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.)

    4.2 ATC Code

    V - Various

    V08 - Contrast media

    V08A - X-ray contrast media, iodinated

    V08AB - Watersoluble, nephrotropic, low osmolar x-ray contrast media

    V08AB06 - Iotrolan