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Chemistry

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Also known as: Sodium feredetate, Ferisan, Sytron, Sodium ferric edta, Ferric sodium edetate, 15708-41-5

Molecular Formula

C₁₀H₁₄FeN₂NaO₈+₄

Molecular Weight

369.06 g/mol

InChI Key

UWSAIOMORQUEHN-UHFFFAOYSA-L

1 2D Structure

sodium iron EDTA

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;iron(5+)

2.1.2 InChI

InChI=1S/C10H16N2O8.Fe.Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;+5;+1/p-2

2.1.3 InChI Key

UWSAIOMORQUEHN-UHFFFAOYSA-L

2.1.4 Canonical SMILES

C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Na+].[Fe+5]

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Ammonium Ferric Edetate

2. Edta Fe(iii)

3. Edta Ferric Ammonium

4. Fe(iii)-edta

5. Fe(iii)-edta Complex (1:1)

6. Fe(iii)-edta, Ammonium Salt

7. Fe(iii)-edta, Potassium Salt

8. Fe(iii)-edta, Sodium Salt

9. Fe(iii)-edta, Sodium Salt, Trihydrate

10. Ferrate(1-), ((ethylenedinitrilo)tetraacetato)-, Hydrogen

11. Ferric Edta

12. Ferric Sodium Edetate

13. Ferric-edta

14. Hydrogen ((ethylenedinitrilo)tetraacetato)ferrate(iii)

15. Iron(iii) Edta

16. Irostrene

17. Monoferric Edetate

18. Nafeedta

19. Sodium Feredetate

20. Sytron

2.2.2 Depositor-Supplied Synonyms

1. Sodium Feredetate

2. Ferisan

3. Sytron

4. Sodium Ferric Edta

5. Ferric Sodium Edetate

6. 15708-41-5

7. Monosodium Ferric Edta

8. Sequestrene Na Fe Iron Chelate

9. Edathamil Monosodium Ferric Salt

10. Sodium;2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;iron(5+)

11. Nsc-5237

12. Ferric Sodium Ethylenediaminetetraacetate

13. Sodium Ferric Ethylenediaminetetraacetate

14. Sodium Iron(iii) Ethylenediaminetetraacetate

15. Iron Sodium Ethylenediaminetetraacetate (1:1:1)

16. Sodium [(ethylenedinitrilo)tetraacetatato]ferrate(iii)

17. (ethylenedinitrilo)tetraacetic Acid, Monosodium Iron Salt

18. Iron Chelate Of The Monosodium Salt Of (ethylenedinitrilo)tetraacetic Acid

19. Ferrate(1-), Sodium

20. Nsc5237

21. Iron Sodium Ethylenediaminetetraacetate

22. Acetic Acid, Sodium Salt, Iron Complex

23. Sodium (n,n',n'-ethylenediaminetetraacetato)ferrate(1-)

24. Ferrate(1-),n'-1,2-ethanediylbis(carboxymethyl)glycinato]](4-)-n,n',o,o',on,on']-, Sodium, (oc-6-21)-

25. Ferrate(1-),n'-1,2-ethanediylbis[n-(carboxymethyl)glycinato]](4-)-n,n',o,o',on,on']-, Sodium, (oc-6-21)-

2.3 Create Date

2008-02-29

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₄FeN₂NaO₈+₄
Molecular Weight	369.06 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	0
Exact Mass	368.999720 g/mol
Monoisotopic Mass	368.999720 g/mol
Topological Polar Surface Area	161 Å²
Heavy Atom Count	22
Formal Charge	4
Complexity	353
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Iron Chelating Agents

Organic chemicals that form two or more coordination links with an iron ion. Once coordination has occurred, the complex formed is called a chelate. The iron-binding porphyrin group of hemoglobin is an example of a metal chelate found in biological systems. (See all compounds classified as Iron Chelating Agents.)

4.2 ATC Code

B - Blood and blood forming organs

B03 - Antianemic preparations

B03A - Iron preparations

B03AB - Iron trivalent, oral preparations

B03AB03 - Sodium feredetate

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