sodium iron(III) ethylenediaminetetraacetate (CED0004392)

Record Information

Version

1.0

Creation Date

2016-05-19 03:22:10 UTC

Update Date

2026-05-14 19:32:50 UTC

Accession Number

CHEM010412

Identification

Common Name

sodium iron(III) ethylenediaminetetraacetate

Class

Small Molecule

Description

Sodium iron(III) ethylenediaminetetraacetate is a chemical compound with the formula C10H12FeN2NaO8 and an average molecular weight of 367.05 g/mol. Sodium iron(III) ethylenediaminetetraacetate belongs to the tetracarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound is associated with 11 recorded sources. Within the healthcare, pharmaceuticals, and veterinary products sector, it is used in antianemic preparations. It is also found in household cleaning and consumer products as part of bleaching agents. In the food, food processing, and cookware sector, it is linked to the processing of meats and the preparation of wine or sparkling wine. Its presence is further recorded in building and construction regarding stairs and ramps. Additionally, it is released from electrical and electronic equipment, including electric switches, electric hearing aids, amplifiers, emergency protective devices, fixed capacitors and their manufacture, and one other source. The recorded route of exposure for this substance is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Calmosine	ChEBI
Edathamil monosodium ferric salt	ChEBI
Feredato de sodio	ChEBI
Feredetate de sodium	ChEBI
Ferric sodium edetate	ChEBI
Ferric sodium edta	ChEBI
Ferric sodium ethylenediaminetetraacetate	ChEBI
Ferrostrane	ChEBI
Ferrostrene	ChEBI
Iron sodium ethylenediaminetetraacetate (1:1:1)	ChEBI
Monosodium ferric edta	ChEBI
NaFeEDTA	ChEBI
Natrii feredetas	ChEBI
Sodium ((ethylenedinitrilo)tetraacetatato)ferrate(III)	ChEBI
Sodium ((ethylenedinitrilo)tetraacetato)ferrate(1-)	ChEBI
Sodium (N,N,n',n'-ethylenediaminetetraacetato)ferrate(1-)	ChEBI
Sodium ferric edta	ChEBI
Sodium ferric ethylenediaminetetraacetate	ChEBI
Sodium iron edta	ChEBI
Sodium iron(III) ethylenediaminetetraacetate	ChEBI
Sodium ironedetate	ChEBI
Sytron	ChEBI
Feredetic acid de sodium	Generator
Ferric sodium edetic acid	Generator
Ferric sodium ethylenediaminetetraacetic acid	Generator
Iron sodium ethylenediaminetetraacetic acid (1:1:1)	Generator
Sodium ((ethylenedinitrilo)tetraacetatato)ferric acid(III)	Generator
Sodium ((ethylenedinitrilo)tetraacetato)ferric acid(1-)	Generator
Sodium (N,N,n',n'-ethylenediaminetetraacetato)ferric acid(1-)	Generator
Sodium ferric ethylenediaminetetraacetic acid	Generator
Sodium iron(III) ethylenediaminetetraacetic acid	Generator
Sodium ironedetic acid	Generator
Sodium feredetic acid	Generator
Sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetic acid;iron(3+)	Generator

Chemical Formula

C₁₀H₁₂FeN₂NaO₈

Average Molecular Mass

367.047 g/mol

Monoisotopic Mass

366.984 g/mol

CAS Registry Number

15708-41-5

IUPAC Name

iron(3+) ion sodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate

Traditional Name

iron(3+) ion sodium ion(4-) edta

SMILES

[Na+].[Fe+3].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O

InChI Identifier

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;+3;+1/p-4

InChI Key

MKWYFZFMAMBPQK-UHFFFAOYSA-J

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tetracarboxylic acids and derivatives

Direct Parent

Tetracarboxylic acids and derivatives

Alternative Parents

Substituents

Tetracarboxylic acid or derivatives
Alpha-amino acid
Alpha-amino acid or derivatives
Amino acid or derivatives
Carboxylic acid salt
Tertiary amine
Tertiary aliphatic amine
Amino acid
Carboxylic acid
Organic transition metal salt
Organic alkali metal salt
Organic sodium salt
Organic salt
Organic zwitterion
Amine
Organopnictogen compound
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

organic sodium salt (CHEBI:78292 )
iron chelate (CHEBI:78292 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	6.78 g/L	ALOGPS
logP	0.63	ALOGPS
logP	-5.2	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	1.49	ChemAxon
pKa (Strongest Basic)	8.13	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	167 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	105.69 m³·mol⁻¹	ChemAxon
Polarizability	24.52 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0fr2-7952000000-5cc18b70a782f1cd2364	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0009000000-0e8259b694a7e2972d1f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0009000000-0e8259b694a7e2972d1f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0009000000-0e8259b694a7e2972d1f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0009000000-fc60c18d3e4e712e91ec	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0009000000-fc60c18d3e4e712e91ec	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0009000000-fc60c18d3e4e712e91ec	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
276	Antianemic preparations	Healthcare, pharmaceuticals & veterinary products	Not Available
500	Stairs And Ramps	Building & Construction	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
520	Emergency Protective Devices	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
532	Selectors	Electrical & Electronic Equipment	Not Available
549	Preparation Of Wine Or Sparkling Wine	Food, food processing & cookware	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
555	Bleaching Agents	Household cleaning & consumer products	Not Available
597	Chemosterilants	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
603	Nematocides	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
605	Pest Repellants	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available
609	Aftershave	Personal care & cosmetics	Not Available
613	Depilatories	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
630	Toys	Recreation & sports surfaces	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
659	Transfer Printing	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	Not Available

Pathways

2 pathways

Sodium feredetate Drug Metabolism

Sodium feredetate Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Beta-lactamase VIM-1	Q9XAY4	Pseudomonas aeruginosa	Predicted (SEA)	0.0778492
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	152.818
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	935.67
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	1142.2
Click to view 3D structure	3-isopropylmalate dehydrogenase	Q5SIY4	Thermus thermophilus	Predicted (SEA)	0.233548
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	1178.79
Click to view 3D structure	Free fatty acid receptor 3	B2GV46	Rattus norvegicus	Predicted (SEA)	0.778492
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	3228.95
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	3539.49
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P48029	Humans	Predicted (SEA)	6.92858
Click to view 3D structure	Amyloid-beta precursor protein	P05067	Humans	Predicted (SEA)	3473.17
Click to view 3D structure	Metallo-beta-lactamase type 2	C7C422	Klebsiella pneumoniae	Predicted (SEA)	480.797
Click to view 3D structure	Organic anion transporter 3	O88909	Mus musculus	Predicted (SEA)	306.726
Click to view 3D structure	Carnitine O-palmitoyltransferase 2, mitochondrial	P23786	Humans	Predicted (SEA)	2506.04
Click to view 3D structure	Lysine-specific demethylase 2A	Q9Y2K7	Humans	Predicted (SEA)	3726.72
Click to view 3D structure	1-deoxy-D-xylulose 5-phosphate reductoisomerase	P45568	Escherichia coli (strain K12)	Predicted (SEA)	332.883
Click to view 3D structure	1-deoxy-D-xylulose 5-phosphate reductoisomerase	P9WNS1	Mycobacterium tuberculosis	Predicted (SEA)	223.972
Click to view 3D structure	Mitochondrial carnitine/acylcarnitine carrier protein	O43772	Humans	Predicted (SEA)	69.5194
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	7625.72
Click to view 3D structure	Amino acid transporter	Q9Z1J7	Rattus norvegicus	Predicted (SEA)	1381.67
Click to view 3D structure	3-ketoacyl-CoA synthase 20	Q9FG87	Arabidopsis thaliana	Predicted (SEA)	5.68299
Click to view 3D structure	Fructose-bisphosphate aldolase	P56109	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	10.2761
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	5950.56
Click to view 3D structure	Fructose-bisphosphate aldolase class II	A0A380PJR2	Yersinia pestis	Predicted (SEA)	14.3243
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	7660.44