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Chemistry

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Also known as: Sodium tyropanoate, Bilopaque, Lumopaque, 7246-21-1, Bilopac, Tyropaque
Molecular Formula
C15H17I3NNaO3
Molecular Weight
663.00  g/mol
InChI Key
KTVKGXZZBQCBGD-UHFFFAOYSA-M
FDA UNII
XRJ0P5FAYO

Tyropanoate
A diagnostic aid as a radiopaque medium in cholecystography.
1 2D Structure

Tyropanoate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]butanoate
2.1.2 InChI
InChI=1S/C15H18I3NO3.Na/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22;/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1
2.1.3 InChI Key
KTVKGXZZBQCBGD-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CCCC(=O)NC1=C(C=C(C(=C1I)CC(CC)C(=O)[O-])I)I.[Na+]
2.2 Other Identifiers
2.2.1 UNII
XRJ0P5FAYO
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Bilopaque

2. Sodium Tyropanoate

3. Sodium, Tyropanoate

4. Tyropanoate

5. Tyropanoate, Sodium

6. Win 88512

7. Win-88512

8. Win88512

2.3.2 Depositor-Supplied Synonyms

1. Sodium Tyropanoate

2. Bilopaque

3. Lumopaque

4. 7246-21-1

5. Bilopac

6. Tyropaque

7. Nsc-107434

8. Win 8851-2

9. Tyropanoate Sodium [usan]

10. Tyropanoic Acid Sodium Salt

11. Xrj0p5fayo

12. Sodium Tyropanoate [inn]

13. Win-8851-2

14. Sodium;2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]butanoate

15. Natrii Tyropanoas

16. Tyropanoate Sodium (usan)

17. Natrium Tyropanoat

18. Sodium Tyropanoate; Tyropanoat; Bilopac; Bilopaque; Lumopaque; Nsc 107434

19. Tiropanoato Sodico

20. Natrii Tyropanoas [inn-latin]

21. Tyropanoate De Sodium

22. Tiropanoato Sodico [inn-spanish]

23. Unii-xrj0p5fayo

24. Tyropanoate De Sodium [inn-french]

25. Einecs 230-653-9

26. Bilopaque?

27. Tyropanoate Sodium [usan:usp]

28. Bilopaque (tn)

29. Sodium 3-butyramido-.alpha.-ethyl-2,4,6-triiodohydrocinnamate

30. Natrium 2-(3-butyramido-2,4,6-triiodbenzyl)butyrat

31. Sodium 3-butyramido-alpha-ethyl-2,4,6-triiodohydrocinnamate

32. 2-(3-butyramido-2,4,6-triiodbenzyl)buttersaeure, Natrium-salz

33. Ncgc00181094-01

34. 3-butyramido-alpha-ethyl-2,4,6-triiodohydrocinnamic Acid Sodium Salt

35. Dsstox_cid_3729

36. Alpha-ethyl-beta-(2,4,6-triiodo-3-butyramidophenyl)propionic Acid Sodium Salt

37. Benzenepropanoic Acid, Alpha-ethyl-2,4,6-triiodo-3-((1-oxobutyl)amino)-, Monosodium Salt

38. Dsstox_rid_77169

39. Dsstox_gsid_23729

40. Schembl104929

41. Sodium Tyropanoate (jan/inn)

42. Tyropanoate Sodium [mi]

43. Chembl1200899

44. Dtxsid2023729

45. Sodium Tyropanoate [jan]

46. Chebi:32273

47. Tyropanoate Sodium [vandf]

48. Sodium Tyropanoate [mart.]

49. Sodium Tyropanoate [who-dd]

50. Tox21_112710

51. Hydrocinnamic Acid, 3-butyramido-alpha-ethyl-2,4,6-triiodo-, Monosodium Salt

52. Hydrocinnamic Acid, 3-butyramido-alpha-ethyl-2,4,6-triiodo-, Sodium Salt

53. Tyropanoate Sodium [orange Book]

54. Cas-7246-21-1

55. D01884

56. Q27293969

57. Sodium 2-{[3-(butanoylamino)-2,4,6-triiodophenyl]methyl}butanoate

58. Sodium-2-[(3-butanoylamino-2,4,6-triiodo-phenyl)methyl]butanoate

59. Benzenepropanoic Acid, .alpha.-ethyl-2,4,6-triiodo-3-((1-oxobutyl)amino)-, Monosodium Salt

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 663.00 g/mol
Molecular Formula C15H17I3NNaO3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass662.8240 g/mol
Monoisotopic Mass662.8240 g/mol
Topological Polar Surface Area69.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity400
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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.)


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