Iodohippurate sodium I 131

Synopsis, Chemistry

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Also known as: Iodohippurate sodium i 131, Hippuran-131, Hippuran i 131, Iodohippurate sodium i-131, 881-17-4, Iodohippurate i131 sodium

Molecular Formula

C₉H₇INNaO₃

Molecular Weight

331.05 g/mol

InChI Key

XYITYKDGJLHYPW-UDYUCQKZSA-M

FDA UNII

9BRV734R3E

1 2D Structure

Iodohippurate Sodium I-131

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;2-[(2-(131I)iodanylbenzoyl)amino]acetate

2.1.2 InChI

InChI=1S/C9H8INO3.Na/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13;/h1-4H,5H2,(H,11,14)(H,12,13);/q;+1/p-1/i10+4;

2.1.3 InChI Key

XYITYKDGJLHYPW-UDYUCQKZSA-M

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)C(=O)NCC(=O)[O-])I.[Na+]

2.1.5 Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC(=O)[O-])[131I].[Na+]

2.2 Other Identifiers

2.2.1 UNII

9BRV734R3E

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Iodohippurate Sodium I 131

2. Hippuran-131

3. Hippuran I 131

4. Iodohippurate Sodium I-131

5. 881-17-4

6. Iodohippurate I131 Sodium

7. Iodohippurate Sodium I131

8. Sodium Iodohippurate (131 I)

9. Iodohippurate Sodium,i-131

10. Sodium Iodohippurate I 131

11. Monosodium O-iodo-(sup 131)i-hippurate

12. Iodohippurate Sodium, I-131

13. 9brv734r3e

14. Sodium Iodohippurate (131i) [inn]

15. Sodium;2-[(2-(131i)iodanylbenzoyl)amino]acetate

16. Hipputope

17. Unii-9brv734r3e

18. Natrii Iodohippuras Iodo-131

19. Natrii Iodhippuras (131 I)

20. Iodohipurato Sodico (131 I)

21. Natrii Jod (131 I)-hippuras

22. Natrium Jod (131 J)-hippuricum

23. Iodohippurate (131 I) De Sodium

24. Hippuran I131

25. Natrium Radioiodhippuricum (131 I)

26. Iodohippurate Sodium I 131 [usan]

27. Iodohippurate Sodium I 131 [usan:usp]

28. Natrii Iodhippuras (131 I) [inn-latin]

29. Iodohipurato Sodico (131 I) [inn-spanish]

30. Hippuran I 131 (tn)

31. Iodohippurate (131 I) De Sodium [inn-french]

32. Sodium Iodohippurate 131i)

33. Chembl1200763

34. Iodohippurate Sodium ((131)i)

35. Dtxsid90236816

36. Chebi:134740

37. Sodium 2-((131)i)iodohippurate

38. Iodohippurate Sodium I 131 (usp)

39. Sodium Iodohippurate 131i) Injection

40. Db09382

41. Sodium Iodohippurate (131i) Injection

42. Sodium [2-((131)i)iodobenzamido]acetate

43. Sodium Iodohippurate (131i) (jp17/inn)

44. Iodohippurate Sodium,i-131 [vandf]

45. D04570

46. O-iodohippurate Sodium 131i-labeled Form

47. Sodium Iodohippurate (131 I) [who-dd]

48. Iodohippurate Sodium I 131 [usp Impurity]

49. Iodohippurate Sodium I-131 [orange Book]

50. O-iodohippurate Sodium 131i-labeled Form [mi]

51. Q27272329

52. Glycine, N-(2-(iodo-(sup 131)i)benzoyl)-, Monosodium Salt

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₉H₇INNaO₃
Molecular Weight	331.05 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	330.938489 g/mol
Monoisotopic Mass	330.938489 g/mol
Topological Polar Surface Area	69.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	237
Isotope Atom Count	1
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