Ethylenediaminetetraacetic acid monosodium ferric salt - powder,13.0 - 18.7% Fe basis , CAS No.15708-41-5

CAS: 15708-41-5 Cat. No.: E118603 Molecular Weight: 367.05 EC Number: 239-802-2

GRADE & PURITY powder,13.0 - 18.7% Fe basis

Synonyms

Ethylenediaminetetraacetic Acid Ferric Sodium Salt | Ethylenediaminetetraacetic Acid Iron(III) Sodium Salt | Ferric Sodium Ethylenediaminetetraacetate

Storage

Room temperature

Shipped In

Normal

Overview

Used to eliminate inhibition of enzyme catalyzed reactions (due to traces of heavy metals).
Used to eliminate enzyme inhibition by traces of heavy metals, and to inhibit enzymes that require divalent cations as cofactors. Iron-EDTA enhances damage due to reactive oxygen species, such as depletion of reduced glutathione, formation of methemoglobin, and lipid peroxidation.

Specifications

Synonyms

Ethylenediaminetetraacetic Acid Ferric Sodium Salt | Ethylenediaminetetraacetic Acid Iron(III) Sodium Salt | Ferric Sodium Ethylenediaminetetraacetate

Specifications & Purity

powder, 13.0 - 18.7% Fe basis

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 504753359
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753359
• Canonical Smiles: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Fe+3]
• IUPAC Name: sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(3+)
• InChIKey: MKWYFZFMAMBPQK-UHFFFAOYSA-J
• 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
• Isomeric SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Fe+3]
• WGK Germany: 3
• RTECS: AH4900000
• Alternate CAS: 149022-26-4
• Molecular Weight: 367.05
• Reaxy-Rn: 10751063

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Alpha amino acids Trialkylamines Carboxylic acid salts Amino acids Organic transition metal salts Carboxylic acids Organopnictogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• 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
• Description: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
• External Descriptors: organic sodium salt - iron chelate

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water.
• Molecular Weight: 367.050 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 366.984 Da
• Monoisotopic Mass: 366.984 Da
• Topological Polar Surface Area: 167.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 293.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

References

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