Nephroflow

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Also known as: 56254-07-0, Iodohippurate sodium i-123, Iodohippurate i123 sodium, Iodohippurate sodium,i-123, 4nw20gfq7h, Iodohippurate sodium, i-123

Molecular Formula

C₉H₇INNaO₃

Molecular Weight

323.05 g/mol

InChI Key

XYITYKDGJLHYPW-TWDNZPFZSA-M

FDA UNII

4NW20GFQ7H

1 2D Structure

Nephroflow

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;2-[(2-(123I)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-TWDNZPFZSA-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-])[123I].[Na+]

2.2 Other Identifiers

2.2.1 UNII

4NW20GFQ7H

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 56254-07-0

2. Iodohippurate Sodium I-123

3. Iodohippurate I123 Sodium

4. Iodohippurate Sodium,i-123

5. 4nw20gfq7h

6. Iodohippurate Sodium, I-123

7. Sodium Iodohippurate (123 I)

8. Sodium Iodohippurate (123-i)

9. Sodium;2-[(2-(123i)iodanylbenzoyl)amino]acetate

10. Nephroflow

11. 123i-iodohippuran

12. Hippuran-123i

13. Unii-4nw20gfq7h

14. Nephroflow (tn)

15. Iodohippurate Sodium I 123 [usan]

16. Sodium O-iodo-(sup 123)i-hippurate

17. Iodohippurate Sodium I 123 [usan:usp]

18. Sodium Iodohippurate (123i)

19. Sodium O-iodo-123i-hippurate

20. Chembl1200439

21. Dtxsid60204805

22. Iodohippurate Sodium I 123 (usp)

23. Iodohippurate Sodium,i-123 [vandf]

24. D04568

25. O-iodohippurate Sodium 123i-labeled Form

26. Sodium Iodohippurate (123 I) [who-dd]

27. Iodohippurate Sodium I 123 [usp Impurity]

28. Iodohippurate Sodium I-123 [orange Book]

29. O-iodohippurate Sodium 123i-labeled Form [mi]

30. Q27260255

31. Glycine, N-(2-(iodo-(sup 123)i)benzoyl)-, Monosodium Salt

32. Glycine, N-(2-(iodo-(sup 123)i) Benzoyl)-, Monosodium Salt

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₉H₇INNaO₃
Molecular Weight	323.05 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	322.93795 g/mol
Monoisotopic Mass	322.93795 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