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Chemistry

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Also known as: Sodium iopodate, Sodium ipodate, 1221-56-3, Bilivist, Biloptin, Oragrafin sodium

Molecular Formula

C₁₂H₁₂I₃N₂NaO₂

Molecular Weight

619.94 g/mol

InChI Key

ZFHZUGUCWJVEQC-UHFFFAOYSA-M

FDA UNII

F316LLW9WW

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

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;3-[3-(dimethylaminomethylideneamino)-2,4,6-triiodophenyl]propanoate

2.1.2 InChI

InChI=1S/C12H13I3N2O2.Na/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19;/h5-6H,3-4H2,1-2H3,(H,18,19);/q;+1/p-1

2.1.3 InChI Key

ZFHZUGUCWJVEQC-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)[O-])I)I.[Na+]

2.2 Other Identifiers

2.2.1 UNII

F316LLW9WW

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, Calcium

12. Ipodate, Sodium

13. Sodium Iopodate

14. Sodium Ipodate

15. Solu Biloptin

16. Solu-biloptin

2.3.2 Depositor-Supplied Synonyms

1. Sodium Iopodate

2. Sodium Ipodate

3. 1221-56-3

4. Bilivist

5. Biloptin

6. Oragrafin Sodium

7. Ipodate Sodium Salt

8. Biloptinon

9. Sodium 3-(3-{[(dimethylamino)methylene]amino}-2,4,6-triiodophenyl)propanoate

10. Nsc-106962

11. Sodium Iopodate (jan)

12. Ipodate Sodium [usan]

13. Iopodate Sodium

14. Sodium Triiodohydrocinnamate

15. Sodium Iopodate [inn]

16. Sodium Iopodate [jan]

17. F316llw9ww

18. Zk 15

19. Sh 514

20. Sodium 3-(((dimethylamino)methylene)amino)-2,4,6-triiodohydrocinnamate

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

22. Ipodate Sodium (usan)

23. Oragrafin-sodium

24. Orgrafin

25. Iodopato Sodico

26. Natrii Iopodas

27. Benzenepropanoic Acid, 3-[[(dimethylamino)methylene]amino]-2,4,6-triiodo-, Sodium Salt

28. Iopodate De Sodium

29. Natrii Iopodas [inn-latin]

30. Iodopato Sodico [inn-spanish]

31. Iopodate De Sodium [inn-french]

32. Ncgc00181092-01

33. Einecs 214-945-3

34. Unii-f316llw9ww

35. Ipodate Sodium [usan:usp]

36. Sq-15761

37. Oragrafin Sodium (tn)

38. 3-((dimethylaminomethylene)amino)-2,4,6-triiodohydrocinnamic Acid Sodium Salt

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

40. Benzenepropanoic Acid, 3-((dimethylaminomethylene)amino)-2,4,6-triiodo-, Sodium Salt

41. Dsstox_cid_28246

42. Dsstox_rid_82748

43. Sodium Salt Of 3-(3-dimethylaminomethyleneamino-2,4,6-triiodophenyl)propionic Acid

44. Dsstox_gsid_48271

45. Ipodatesodium(200mg)

46. Ipodate Sodium [vandf]

47. Chebi:5953

48. Chembl1201033

49. Chembl3184539

50. Dtxsid9048271

51. Sodium Iopodate [mart.]

52. Iopodate Sodium [who-dd]

53. Ipodate Sodium Salt [mi]

54. Baa22156

55. Tox21_112708

56. Beta-(2,4,6-trijod-3-dimethylaminomethylenamino-phenyl)-propionsaeure

57. Ipodate Sodium [orange Book]

58. Ipodate Sodium [usp Impurity]

59. Akos005111003

60. Sodium;3-[3-(dimethylaminomethylideneamino)-2,4,6-triiodophenyl]propanoate

61. Hydrocinnamic Acid, 3-((dimethylaminomethylene)amino)-2,4,6-triiodo-, Sodium Salt

62. Cas-1221-56-3

63. Ft-0682674

64. D01015

65. Q15409424

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₂I₃N₂NaO₂
Molecular Weight	619.94 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	619.7931 g/mol
Monoisotopic Mass	619.7931 g/mol
Topological Polar Surface Area	55.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	345
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	2