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Also known as: Sodium iodipamide, Cholografin sodium, 2618-26-0, Iodipamide disodium salt, Biligrafin sodium, 3j6wza9pxs

Molecular Formula

C₂₀H₁₂I₆N₂Na₂O₆

Molecular Weight

1183.7 g/mol

InChI Key

SIZXNBZGPPPFHM-UHFFFAOYSA-L

FDA UNII

3J6WZA9PXS

1 2D Structure

Iodipamide Sodium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

disodium;3-[[6-(3-carboxylato-2,4,6-triiodoanilino)-6-oxohexanoyl]amino]-2,4,6-triiodobenzoate

2.1.2 InChI

InChI=1S/C20H14I6N2O6.2Na/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34;;/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34);;/q;2*+1/p-2

2.1.3 InChI Key

SIZXNBZGPPPFHM-UHFFFAOYSA-L

2.1.4 Canonical SMILES

C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)[O-])I)I)I)C(=O)[O-])I.[Na+].[Na+]

2.2 Other Identifiers

2.2.1 UNII

3J6WZA9PXS

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Sodium Iodipamide

2. Cholografin Sodium

3. 2618-26-0

4. Iodipamide Disodium Salt

5. Biligrafin Sodium

6. 3j6wza9pxs

7. Cholografin Sodium; Disodium Iodipamide; Iodipamide Sodium

8. Iodipamide, Disodium Salt

9. Iodipamide Sodium [usp]

10. Einecs 220-049-3

11. Unii-3j6wza9pxs

12. Biligrafin Natrium

13. Disodium N,n'-adiphylbis(3-amino-2,4,6-triiodobenzoic Acid)

14. Biligrafin Natrium [german]

15. Schembl3855758

16. Chembl1200350

17. Niosh/dh6836000

18. Dtxsid20947226

19. Iodipamide Disodium Salt [mi]

20. Benzoic Acid, 3,3'-(adipoyldiimino)bis(2,4,6-triiodo-, Disodium Salt

21. Iodipamide Sodium [orange Book]

22. Disodium 3,3'-((1,6-dioxo-1,6-hexanediyl)diimino)bis(2,4,6-triiodobenzoate)

23. Dh68360000

24. Q27257286

25. Adipic Acid Di-(3-carboxy-2,4,6-triiodoanilide) Disodium

26. Adipinsaeure-di-(3-carboxy-2,4,6-trijod-anilid) Dinatrium

27. Adipinsaeure-di-(3-carboxy-2,4,6-trijod-anilid) Dinatrium [german]

28. Benzoic Acid, 3,3'-(tetramethylenebis(carbonylimino))bis(2,4,6-triiodo-, Disodium Salt

29. Benzoic Acid,3,3'-[(1,6-dioxo-1,6-hexanediyl)diimino]bis[2,4,6-triiodo-,disodium Salt(9ci)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₁₂I₆N₂Na₂O₆
Molecular Weight	1183.7 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	1183.4759 g/mol
Monoisotopic Mass	1183.4759 g/mol
Topological Polar Surface Area	139 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	703
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	3