Please Wait
Applying Filters...
menu
    • menu
    DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

    Virtual Booth

    Contact Supplier

    Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    With Fermion, start the journey of your innovative API.

    Virtual Booth

    Contact Supplier

    Bloomage is a one-stop source for CEP Sodium Hyaluronate and Hyaluronic Acid// FDA-inspected & GMP-certified.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Menu

    Iobitridol

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

    GLOBAL SALES INFORMATION

    MARKET PLACE

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 136949-58-1, Xenetix, 182ech14uh, 1-n,3-n-bis(2,3-dihydroxypropyl)-5-[[3-hydroxy-2-(hydroxymethyl)propanoyl]amino]-2,4,6-triiodo-1-n,3-n-dimethylbenzene-1,3-dicarboxamide, N,n'-bis(2,3-dihydroxypropyl)-5-(2-(hydroxymethyl)hydracrylamido)-2,4,6-triiodo-n,n'-dimethylisophthalamide, Chebi:31701
    Molecular Formula
    C20H28I3N3O9
    Molecular Weight
    835.2  g/mol
    InChI Key
    YLPBXIKWXNRACS-UHFFFAOYSA-N
    FDA UNII
    182ECH14UH
    Iobitridol is a water-soluble, tri-iodinated, non-ionic monomeric benzoate derivative and contrast medium used in diagnostic radiography. Upon administration, iobitridol is distributed through the vascular system and interstitial space. Like other organic iodine compounds, this agent blocks x-rays and appears opaque on x-ray film thus, enhancing the visibility of body parts containing this agent. Iobitridol is rapidly removed by the kidneys in an unchanged form, and in cases of renal failure, heterotropic excretion occurs via the biliary route.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-N,3-N-bis(2,3-dihydroxypropyl)-5-[[3-hydroxy-2-(hydroxymethyl)propanoyl]amino]-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
    2.1.2 InChI
    InChI=1S/C20H28I3N3O9/c1-25(3-10(31)7-29)19(34)12-14(21)13(20(35)26(2)4-11(32)8-30)16(23)17(15(12)22)24-18(33)9(5-27)6-28/h9-11,27-32H,3-8H2,1-2H3,(H,24,33)
    2.1.3 InChI Key
    YLPBXIKWXNRACS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)NC(=O)C(CO)CO)I)C(=O)N(C)CC(CO)O)I
    2.2 Other Identifiers
    2.2.1 UNII
    182ECH14UH
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-(3-hydroxy-2-hydroxymethylpropionamido)-n,n'-dimethyl-n,n'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide

    2. Xenetix

    2.3.2 Depositor-Supplied Synonyms

    1. 136949-58-1

    2. Xenetix

    3. 182ech14uh

    4. 1-n,3-n-bis(2,3-dihydroxypropyl)-5-[[3-hydroxy-2-(hydroxymethyl)propanoyl]amino]-2,4,6-triiodo-1-n,3-n-dimethylbenzene-1,3-dicarboxamide

    5. N,n'-bis(2,3-dihydroxypropyl)-5-(2-(hydroxymethyl)hydracrylamido)-2,4,6-triiodo-n,n'-dimethylisophthalamide

    6. Chebi:31701

    7. 1,3-benzenedicarboxamide, N,n'-bis(2,3-dihydroxypropyl)-5-((5-hydroxy-2-(hydroxymethyl)-1-oxopropyl)amino)-2,4,6-triiodo-n,n'-dimethyl-

    8. Iobitridol [inn]

    9. Xenetix 300

    10. Iobitridol [inn:ban]

    11. Unii-182ech14uh

    12. Iobitridol [mi]

    13. Iobitridol (jan/inn)

    14. Iobitridol [jan]

    15. Iobitridol [mart.]

    16. Iobitridol [who-dd]

    17. Schembl23057

    18. Chembl2107212

    19. Dtxsid90869865

    20. Db12407

    21. Ncgc00532516-01

    22. 5-(3-hydroxy-2-hydroxymethylpropionamido)-n,n'-dimethyl-n,n'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide

    23. Ft-0627244

    24. D01181

    25. J-006941

    26. Q6062197

    27. 1,3-benzenedicarboxamide, N1,n3-bis(2,3-dihydroxypropyl)-5-((3-hydroxy-2-(hydroxymethyl)-1-oxopropyl)amino)-2,4,6-triiodo-n1,n3-dimethyl-

    28. 5-(3-hydroxy-2-(hydroxymethyl)-propionamido)-n,n'-dimethyl-n,n'-bis-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide

    29. 5-[3-hydroxy-2-(hydroxymethyl)-propionamido]-n-n -dimethyl-n-n -bis-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide

    30. N,n'-bis(2,3-dihydroxypropyl)-5-((3-hydroxy-2-(hydroxymethyl)-1-oxopropyl)amino)-2,4,6-triiodo-n,n'-dimethyl-1,3-benzenedicarboxamide

    31. N,n'-bis(2,3-dihydroxypropyl)-5-{[3-hydroxy-2-(hydroxymethyl)propanoyl]amino}-2,4,6-triiodo-n,n'-dimethylbenzene-1,3-dicarboxamide

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 835.2 g/mol
    Molecular Formula C20H28I3N3O9
    XLogP3-3
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count12
    Exact Mass834.8960 g/mol
    Monoisotopic Mass834.8960 g/mol
    Topological Polar Surface Area191 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity675
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    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

    V08AB11

    S76 | LUXPHARMA | Pharmaceuticals Marketed in Luxembourg | Pharmaceuticals marketed in Luxembourg, as published by d'Gesondheetskeess (CNS, la caisse nationale de sante, www.cns.lu), mapped by name to structures using CompTox by R. Singh et al. (in prep.). List downloaded from https://cns.public.lu/en/legislations/textes-coordonnes/liste-med-comm.html. Dataset DOI:10.5281/zenodo.4587355

    V - Various

    V08 - Contrast media

    V08A - X-ray contrast media, iodinated

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

    V08AB11 - Iobitridol