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Technical details about Ioxaglate Meglumine, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Meglumine ioxaglate, Ioxaglate meglumine [usan], 59018-13-2, Mp 302 (mixt. with ioxaglate sodium), Hexabrix, 75jr975t11
Molecular Formula
C31H38I6N6O13
Molecular Weight
1464.1  g/mol
InChI Key
HUHDYASLFWQVOL-WZTVWXICSA-N
FDA UNII
75JR975T11

A low-osmolar, ionic contrast medium used in various radiographic procedures.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
2.1.2 InChI
InChI=1S/C24H21I6N5O8.C7H17NO5/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43;1-8-2-4(10)6(12)7(13)5(11)3-9/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
2.1.3 InChI Key
HUHDYASLFWQVOL-WZTVWXICSA-N
2.1.4 Canonical SMILES
CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I.CNCC(C(C(C(CO)O)O)O)O
2.1.5 Isomeric SMILES
CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
2.2 Other Identifiers
2.2.1 UNII
75JR975T11
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Hexabrix

2. Ioxaglate

3. Ioxaglate Sodium

4. Ioxaglate, Methylglucamine

5. Ioxaglic Acid

6. Ioxaglic Acid Monosodium Salt

7. Ioxaglic Acid, Calcium Salt (2:1)

8. Meglumine, Ioxaglate

9. Methylglucamine Ioxaglate

10. P-286 (contrast Media)

11. P286 (contrast Media)

2.3.2 Depositor-Supplied Synonyms

1. Meglumine Ioxaglate

2. Ioxaglate Meglumine [usan]

3. 59018-13-2

4. Mp 302 (mixt. With Ioxaglate Sodium)

5. Hexabrix

6. 75jr975t11

7. Ioxaglate Meglumine (usan)

8. N-(2-hydroxyethyl)-2,4,6-triiodo-5-(2-(2,4,6-triiodo-3-(n-methylacetamido)-5-(methylcarbamoyl)benzamido)acetamido)isophthalamic Acid, Compound With 1-deoxy-1-(methylamino)-d-glucitol (1:1)

9. 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic Acid;(2r,3r,4r,5s)-6-(methylamino)hexane-1,2,3,4,5-pentol

10. Benzoic Acid, 3-((((3-(acetylmethylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)benzoyl)amino)acetyl)amino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodo-, Compound With 1-deoxy-1-(methylamino)-d-glucitol (1:1)

11. Ioxagluc Acid

12. Unii-75jr975t11

13. Einecs 261-561-7

14. Mp 302 (mixt.with Iosaglate Sodium)

15. Schembl666706

16. Chembl1200508

17. Ioxaglate Meglumine [vandf]

18. Meglumine Ioxaglate [mart.]

19. Ioxaglate Meglumine [who-dd]

20. Mp-302

21. Ioxaglate Meglumine [orange Book]

22. Hexabrix Component Ioxaglate Meglumine

23. D04598

24. Ioxaglate Meglumine Component Of Hexabrix

25. Q27266396

26. 1-deoxy-1-(methylamino)-d-glucitol 3-((((3-(acetylmethylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)benzoyl)amino)acetyl)amino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodobenzoate

2.4 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 1464.1 g/mol
Molecular Formula C31H38I6N6O13
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count14
Rotatable Bond Count16
Exact Mass1463.6765 g/mol
Monoisotopic Mass1463.6765 g/mol
Topological Polar Surface Area307 Ų
Heavy Atom Count56
Formal Charge0
Complexity1220
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Contrast Media

Substances used to allow enhanced visualization of tissues. (See all compounds classified as Contrast Media.)


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