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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

Ipodate Calcium

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 Formula	C₂₄H₂₄CaI₆N₄O₄
Molecular Weight	1234.0 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	1233.5692 g/mol
Monoisotopic Mass	1233.5692 g/mol
Topological Polar Surface Area	112 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	333
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

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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Ipodate Calcium

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