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Calciumtrisodiumpentetat
Pentetate Calcium Trisodium · CALCIUMDTPA · calcium trisodium pentetate · Pentetate sodium calcium CRS · calcium trisodium pentetate USP/EP/BP · Calciate(3-), [N,N-bis[2-[bis(carboxymethyl) amino]ethyl]glycinato(5-)]-, trisodium · Calciate(3-), [N-[2-[bis[(carboxy-κO)methyl]amino-κN]ethyl]-N-[2-[[(carboxy-κO)methyl](carboxymethyl)amino-κN]ethyl]glycinato(5-)-κN]-, sodium (1:3) · Calciate(3-), [N-[2-[bis[(carboxy-kO)Methyl]aMino-kN]ethyl]-N-[2-[[(carboxy-kO)Methyl](carboxyMethyl)aMino-kN]ethyl]glycinato(5-)-kN]-, sodiuM (1:3)
Identifikatoren & physikalische Daten
| CAS No. | 12111-24-9 |
|---|---|
| Summenformel | C14H18CaN3O10.3Na |
| Durchschnittliche Molmasse | 497,35 g/mol |
| Monoisotopische Masse | 497,0311175 g/mol |
| SMILES | O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+].[Na+] |
| InChIKey | AYFCVLSUPGCQKD-UHFFFAOYSA-I |
| PubChem CID | 25513 |
| ChEMBL | CHEMBL1200945 |
| EC No. | 235-169-1 |
| DTXSID | DTXSID8065248 |
| Lokaler Name | Calciumtrisodiumpentetat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 210 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 13 |
| Frei drehbare Bindungen | 11 |
| Schwere Atome | 31 |
| Formalladung | 0 |
| Komplexität | 454 |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Lagerbedingungen | 2-8°C |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChIKey | AYFCVLSUPGCQKD-UHFFFAOYSA-I |
| SMILES | [Ca+2].[Na+].[Na+].[Na+].N(CCN(CC(=O)[O-])CC(=O)[O-])(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-] |
| EPA chemische Informationen | Calciate(3-), [N-[2-[bis[(carboxy-.kappa.O)methyl]amino-.kappa.N]ethyl]-N-[2-[[(carboxy-.kappa.O)methyl](carboxymethyl)amino-.kappa.N]ethyl]glycinato(5-)-.kappa.N]-, sodium (1:3) (12111-24-9) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: Calciate(3-), [N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]-, trisodium |
|---|---|
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| TSCA-Inventar-Status | TSCA listed |
| Toxizität | LD50 i.p. in rats: 3.8 g/kg (Dagirmanjian) |
Anwendungen & Verwendung
Verwenden
Chelating agent (plutonium).