Calcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
Basic information
- CAS
62-33-9- Standard SMILES
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+]- InChIKey
SHWNNYZBHZIQQV-UHFFFAOYSA-J- Molecular formula
- C10H12CaN2Na2O8
- Average molar mass
- 374.27 g/mol
- Monoisotopic mass
- 374.0014948
Overview
Edetate calcium disodium is a metal ion chelator used to reduce blood concentrations and depot stores of lead from the body. It is on the World Health Organization Model List of Essential Medicines. Edetate calcium disodium was granted FDA approval on 16 July 1953.
Names & identifiers
- Preferred name
- Calcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
- IUPAC
- calcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
- English name
- EDTA calcium disodium
- Molecular formula
- C10H12CaN2Na2O8.xH2O
- Molecular weight
- 374.27
Names & synonyms
calcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetateEDTA, DISODIUM CALCIUM SALT TRIHYDRATED07934EDETATE CALCIUM DISODIUMCALCIUM DISODIUM EDETATEE385Calcium edetate sodiumedtacalmosatiltetacinantallinchelaton
Show more names
edetamin
Database identifiers
- CAS
62-33-9- PubChem CID
- 6109
Properties
Computed structural properties
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 342
Experimental & physicochemical properties
Melting Point>300
Physicochemical properties
- Melting point
- 300 °C · >300°C
- storage temp.
- room temp
- solubility
- Freely soluble in water, practically insoluble in ethanol (96 per cent).
- form
- Liquid, solid
- color
- Off white
- Odor
- Odorless
- Merck
- 14 · 14,3517
- Stability
- Stable. Incompatible with strong oxidizing agents.
- Major Application
- pharmaceutical (small molecule)
- Cosmetics Ingredients Functions
- CHELATING
- Cosmetic Ingredient Review (CIR)
- EDTA calcium disodium (62-33-9)
- InChI
- InChI=1S/C10H16N2O8.Ca.2Na/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;+2;2*+1/p-4
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- EV7700000
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P305+P351+P338-P261
- Hazardous Substances Data
- 62-33-9(Hazardous Substances Data)
Chemistry & industry
Pharmacology
Pharmacodynamics
Edetate calcium disodium is a polyvalent ion chelator used to remove lead from the body after lead poisoning. It has a wide therapeutic index, as overdoses must be well in excess of the therapeutic dose to show symptoms. It has a long duration of action, as doses are given at least a day apart. Patients should be counselled regarding the risk of increased intracranial pressure with intravenous infusions.
Mechanism of Action
Edetate calcium disodium distributes into tissues, such as the kidney and bone, where it chelates lead ions. The lead ions are then eliminated in the normal urinary excretion of edetate. Lead in certain tissues such as the liver and bone, redistribute to other tissues after edetate calcium disodium treatment, but lead levels do not decrease to levels seen in unexposed patients.
Biological Half-LifeThe half life of edetate calcium disodium is 20-60 minutes.
Metabolism/MetabolitesEdetate calcium disodium is almost completely unmetabolized _in vivo_.
Absorption, Distribution and Excretion
Calcium edetate disodium's Cmax and AUC are dependant on renal function. 5% of an oral dose is absorbed from the gastrointestinal tract.
Edetate calcium disodium is 95% eliminated in the urine within 24 hours. An oral dose in rats was 88.32% recovered in the feces and 10.30% recovered in the urine.
The volume of distribution of edetate calcium disodium is 0.19±0.10L/kg.
The mean clearance of edetate in 1 month olds is 54.6mL/min/1.73m<sup>2</sup>. 2-17 year olds have a mean clearance of 113.9±24.4mL/min/1.73m<sup>2</sup>.
Applications
UsesChelating agent (metal).
UsesUsed to eliminate enzyme inhibition by traces of heavy metals, and to inhibit enzymes that require divalent cations as cofactors. As this form is already chelated with Ca2+, it is selective for divalent cations with greater affinity for EDTA, which it will exchange for Ca2+.
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