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    Ipodate Calcium

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
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    2D Structure
    Also known as: Oragrafin calcium, Ipodate calcium salt, 1151-11-7, Iopodate calcium, Calcium ipodate, 50s7w5m9zz
    Molecular Formula
    C24H24CaI6N4O4
    Molecular Weight
    1234.0  g/mol
    InChI Key
    HVZGHKKROPCBDE-UHFFFAOYSA-L
    FDA UNII
    50S7W5M9ZZ
    Ionic monomeric contrast media. Usually the sodium or calcium salts are used for examination of the gall bladder and biliary tract. (From Martindale, The Extra Pharmacopoeia, 30th ed, p704)
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;3-[3-(dimethylaminomethylideneamino)-2,4,6-triiodophenyl]propanoate
    2.1.2 InChI
    InChI=1S/2C12H13I3N2O2.Ca/c2*1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19;/h2*5-6H,3-4H2,1-2H3,(H,18,19);/q;;+2/p-2
    2.1.3 InChI Key
    HVZGHKKROPCBDE-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)[O-])I)I.CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)[O-])I)I.[Ca+2]
    2.2 Other Identifiers
    2.2.1 UNII
    50S7W5M9ZZ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-(3-(dimethylaminomethylideneamino)-2,4,6-triiodophenyl)propanoic Acid

    2. Benzenepropanoic Acid, 3-(((dimethylamino)methylene)amino)-2,4,6-triiodo-

    3. Bilimin

    4. Biloptin

    5. Calcium Iopodate

    6. Calcium Ipodate

    7. Iopodate

    8. Iopodate, Calcium

    9. Iopodate, Sodium

    10. Ipodate

    11. Ipodate Sodium

    12. Ipodate, Calcium

    13. Ipodate, Sodium

    14. Sodium Iopodate

    15. Sodium Ipodate

    16. Solu Biloptin

    17. Solu-biloptin

    2.3.2 Depositor-Supplied Synonyms

    1. Oragrafin Calcium

    2. Ipodate Calcium Salt

    3. 1151-11-7

    4. Iopodate Calcium

    5. Calcium Ipodate

    6. 50s7w5m9zz

    7. Calcium 3-(((dimethylamino)methylene)amino)-2,4,6-triiodohydrocinnamate

    8. Benzenepropanoic Acid, 3-(((dimethylamino)methylene)amino)-2,4,6-triiodo-, Calcium Salt

    9. Ipodate Calcium [usp]

    10. Calcium Bis(3-(((dimethylamino)methylene)amino)-3-(2,4,6-triiodophenyl)propionate)

    11. Oragrafin Calcium (tn)

    12. Einecs 214-565-8

    13. Unii-50s7w5m9zz

    14. Solu-biloptin

    15. Calcium Iopodate

    16. Ipodate Calcium [vandf]

    17. Chembl2068725

    18. Niosh/mw5175000

    19. Calcium Iopodate [mart.]

    20. Iopodate Calcium [who-dd]

    21. Ipodate Calcium Salt [mi]

    22. Dtxsid401026635

    23. Ipodate Calcium (200 Mg)

    24. Ipodate Calcium [orange Book]

    25. Mw51750000

    26. D04604

    27. Q27260819

    28. Calcium;3-[3-(dimethylaminomethylideneamino)-2,4,6-triiodophenyl]propanoate

    29. 3-(((dimethylamino)methylene)amino)-2,4,6-triiodohydrocinnamic Acid Calcium Salt (2:1)

    30. Beta-(2,4,6-trijod-3-dimethylaminomethylenamino-phenyl)-propionsaeure Ca-salz

    31. Beta-(2,4,6-trijod-3-dimethylaminomethylenamino-phenyl)-propionsaeure Ca-salz [german]

    32. Hydrocinnamic Acid, 3-(((dimethylamino)methylene)amino)-2,4,6-triiodo-, Calcium Salt (2:1)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 1234.0 g/mol
    Molecular Formula C24H24CaI6N4O4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass1233.5692 g/mol
    Monoisotopic Mass1233.5692 g/mol
    Topological Polar Surface Area112 Ų
    Heavy Atom Count39
    Formal Charge0
    Complexity333
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    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

    V08AC - Watersoluble, hepatotropic x-ray contrast media

    V08AC10 - Calcium iopodate