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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 25513Generated: November 4, 2026

Pentetate Calcium Trisodium

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)

https://huagongshe.com/en/chemical/25513

Pentetate Calcium Trisodium molecular structure

Identifiers & Physical Properties

CAS No.12111-24-9
Molecular formulaC14H18CaN3O10.3Na
Average molar mass497.35 g/mol
Monoisotopic mass497.0311175 g/mol
SMILESO=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+].[Na+]
InChIKeyAYFCVLSUPGCQKD-UHFFFAOYSA-I
PubChem CID25513
ChEMBLCHEMBL1200945
EC No.235-169-1
DTXSIDDTXSID8065248

Chemical & Physical Properties

Topological polar surface area210
Hydrogen bond donors0
Hydrogen bond acceptors13
Rotatable bonds11
Heavy atoms31
Formal charge0
Complexity454
Human DrugsFDA approved drugs -> Active ingredient
Storage conditions2-8°C
Major applicationspharmaceutical (small molecule)
InChIKeyAYFCVLSUPGCQKD-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-]
FDA UNIIG79YN26H5B
EPA Substance Registry SystemCalciate(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)
UNSPSC Code41116107
NACRESNA.24
TSCA inventory statusTSCA listed
ToxicityLD50 i.p. in rats: 3.8 g/kg (Dagirmanjian)

Safety & Regulations

Regulatory informationChemical: Calciate(3-), [N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]-, trisodium
Other safety informationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
TSCA inventory statusTSCA listed
ToxicityLD50 i.p. in rats: 3.8 g/kg (Dagirmanjian)

Applications & Uses

Uses

Chelating agent (plutonium).

Uses

Pentetate Trisodium Calcium is used as a local treatment to remove 90Y from a puncture wound and minimize 90Y-distribution to bone.