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2D Structure
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

2D Structure

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 Weight 1183.7 g/mol
Molecular Formula C20H12I6N2Na2O6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass1183.4759 g/mol
Monoisotopic Mass1183.4759 g/mol
Topological Polar Surface Area139 Ų
Heavy Atom Count36
Formal Charge0
Complexity703
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3