ChemicalBook--->CAS DataBase List--->12111-24-9

12111-24-9

12111-24-9 Structure

12111-24-9 Structure
IdentificationBack Directory
[Name]

calcium trisodium pentetate
[CAS]

12111-24-9
[Synonyms]

CALCIUMDTPA
calcium trisodium pentetate
Pentetate Calcium Trisodium
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)
[EINECS(EC#)]

235-169-1
[Molecular Formula]

C25H35CaNa3O10
[MDL Number]

MFCD00066452
[MOL File]

12111-24-9.mol
[Molecular Weight]

604.587
Chemical PropertiesBack Directory
[storage temp. ]

2-8°C
[Major Application]

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 Substance Registry System]

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)
Hazard InformationBack Directory
[Uses]

Chelating agent (plutonium).
Safety DataBack Directory
[TSCA ]

TSCA listed
[Safety Profile]

Moderately toxic by intravenous and intraperitoneal routes. Experimental teratogenic and reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NazO and NO,. See also CALCIUM COMPOUNDS.
[Toxicity]

LD50 i.p. in rats: 3.8 g/kg (Dagirmanjian)
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