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2D Structure
Also known as: Sodium acetrizoate, Salpix, Diaginol, Reopak, 129-63-5, Sodium 3-acetamido-2,4,6-triiodobenzoate
Molecular Formula
C9H5I3NNaO3
Molecular Weight
578.84  g/mol
InChI Key
UCPVOMHRDXMAIZ-UHFFFAOYSA-M
FDA UNII
5GF4B2I1DD

An iodinated radiographic contrast medium used as acetrizoate sodium in HYSTEROSALPINGOGRAPHY.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;3-acetamido-2,4,6-triiodobenzoate
2.1.2 InChI
InChI=1S/C9H6I3NO3.Na/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16;/h2H,1H3,(H,13,14)(H,15,16);/q;+1/p-1
2.1.3 InChI Key
UCPVOMHRDXMAIZ-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CC(=O)NC1=C(C=C(C(=C1I)C(=O)[O-])I)I.[Na+]
2.2 Other Identifiers
2.2.1 UNII
5GF4B2I1DD
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Acetrizoic Acid

2. Acid, Acetrizoic

3. Jodopax

4. Salpix

5. Sodium, Acetrizoate

6. Triiotrast

7. Visotrast 300

8. Visotrast 400

2.3.2 Depositor-Supplied Synonyms

1. Sodium Acetrizoate

2. Salpix

3. Diaginol

4. Reopak

5. 129-63-5

6. Sodium 3-acetamido-2,4,6-triiodobenzoate

7. Acetiodon

8. Mp 1023

9. Acetrizoic Acid Sodium Salt

10. Sodium Acetrizoate [inn]

11. 5gf4b2i1dd

12. Bronchoselectan

13. Cystokon

14. Iodopact

15. Iodopaque

16. Jodopax

17. Thixokon

18. Triiodyl

19. Triiotrast

20. Triopac

21. Triopas

22. Triumbren

23. Triurol

24. Triuropan

25. Vesamin

26. Benzoic Acid, 3-(acetamido)-2,4,6-triiodo-, Monosodium Salt

27. Sodium Urokon

28. Tri-abrodil

29. Fortombrine-n

30. Urokon Sodium

31. Pyelokon-r

32. Acidum Acetrizoicum

33. Acetrizoate Sodium Salt

34. Triopac 200

35. Natrii Acetrizoas

36. Acetrizoato Sodico

37. Acetrizoato Sodico [dcit]

38. Acetrizoate De Sodium

39. Natrii Acetrizoas [inn-latin]

40. Acetrizoate De Sodium [inn-french]

41. Einecs 204-956-1

42. Acetrizoate Sodium [usp]

43. Unii-5gf4b2i1dd

44. Sodiumacetrizoate

45. Sodium 3-acetylamino-2,4,6-triiodobenzoate

46. 3-acetamido-2,4,6-triiodobenzoic Acid Sodium Salt

47. 2,4,6-trijod-3-acetaminobenzosaeure Natrium [german]

48. 2,4,6-trijod-3-acetaminobenzosaeure Natrium

49. Schembl468513

50. Dtxsid30926269

51. Sodium Acetrizoate [mart.]

52. Sodium Acetrizoate [who-dd]

53. Benzoic Acid, 3-acetamido-2,4,6-triiodo-, Monosodium Salt

54. Mp1023

55. Mp-1023

56. Acetrizoate Sodium [orange Book]

57. Acetrizoic Acid Sodium Salt [mi]

58. Sodium;3-acetamido-2,4,6-triiodobenzoate

59. Q7553295

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 578.84 g/mol
Molecular Formula C9H5I3NNaO3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass578.7301 g/mol
Monoisotopic Mass578.7301 g/mol
Topological Polar Surface Area69.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity305
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
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.)