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Natriumcalciumedetat

Calcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate

HCID 6109
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Grundinformationen

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
Summenformel
C10H12CaN2Na2O8
Durchschnittliche Molmasse
374,27 g/mol
Monoisotopische Masse
374,0014948

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
Calcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
IUPAC
calcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
Lokaler Name
Natriumcalciumedetat
Englischer Name
EDTA calcium disodium
Summenformel
C10H12CaN2Na2O8.xH2O
Molmasse
374.27

Namen und Synonyme

calcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetateEDTA, DISODIUM CALCIUM SALT TRIHYDRATED07934EDETATE CALCIUM DISODIUMCALCIUM DISODIUM EDETATEE385Calcium edetate sodiumedtacalmosatiltetacinantallinchelaton
Weitere Namen anzeigen
edetamin

Datenbank-Bezeichner

CAS
62-33-9
PubChem CID
6109

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
167 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
10
Frei drehbare Bindungen
2
Schwere Atome
23
Formalladung
0
Komplexität
342

Experimentelle und physikochemische Eigenschaften

Melting Point>300

Physikochemische Eigenschaften

Schmelzpunkt
300 °C · >300°C
storage temp.
room temp
Löslichkeit
Freely soluble in water, practically insoluble in ethanol (96 per cent).
Aggregatzustand
Liquid, solid
Farbe
Off white
Geruch (Odor)
Odorless
Merck
14 · 14,3517
Stabilität
Stable. Incompatible with strong oxidizing agents.
Major Application
pharmaceutical (small molecule)
Kosmetik-Inhaltsstoffe Funktionen
CHELATING
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
InChIKey
SHWNNYZBHZIQQV-UHFFFAOYSA-J

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

Sicherheitsdaten

wgk
2
tsca
TSCA listed
hs_code
29349990
RTECS-Nr.
EV7700000
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
Speicherklasse
11 - Combustible Solids
Giftige Stoffe Daten
62-33-9(Hazardous Substances Data)

Chemie und Industrie

Pharmakologische Informationen

Pharmacodynamics · 1 Eintrag

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 · 1 Eintrag

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 · 4 Einträge

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>.

Anwendungen · 1 Eintrag

VerwendenEDTA calcium disodium is a sequestrant and chelating agent whose complete name is disodium calcium ethylenediamine tetraacetate. It is a nonhygroscopic powder that is colorless, odorless, and tasteless at recommended use levels. A 1% solution has a ph of 6.5–7.5. It is used to control the reaction of trace metals with some organic and inorganic components in food; to prevent deterioration of color, texture, and development of precipitates; and to prevent oxidation. Its function is comparable to that of disodium dihydrogen edta. It is also termed calcium disodium edta.

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Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
SMILES
N(CCN(CC(=O)[O-])CC(=O)[O-])(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Ca+2]
LogP
-0.434 · -0.434 (est)
CAS Datenbank
62 · 62-33-9(CAS DataBase Reference)
EPA chemische Informationen
Calcium disodium ethylenediaminetetraacetate (62-33-9)

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Calciumdi(acetat)EdetinsureNatriumhydroxid

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