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Technical details about Ipodate Calcium, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. 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


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