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Chemistry

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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

Acetrizoic Acid

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 Formula	C₉H₅I₃NNaO₃
Molecular Weight	578.84 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	578.7301 g/mol
Monoisotopic Mass	578.7301 g/mol
Topological Polar Surface Area	69.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	305
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