Pentetate zinc trisodium , Radioactive metals chelating agent, CAS No.11082-38-5, Radioactive metals chelating agent

CAS: 11082-38-5 Cat. No.: P670971 Molecular Weight: 522.7 EC Number: 234-305-7

Synonyms

Pentetate zinc trisodium | Zinc trisodium diethylenetriaminepentaacetate | Pentetate zinc trisodium [JAN] | D09762 | NXU65IC8PG | DTXCID4077445 | Zincate(3-), (N,N-bis(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))-, trisodium | Trisodium (N,N-bis(2-(bi

Storage

Room temperature

Specifications

Synonyms

Pentetate zinc trisodium | Zinc trisodium diethylenetriaminepentaacetate | Pentetate zinc trisodium [JAN] | D09762 | NXU65IC8PG | DTXCID4077445 | Zincate(3-), (N, N-bis(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))-, trisodium | Trisodium (N, N-bis(2-(bi

Storage

Room temperature

Action Type

CHELATING AGENT

Mechanism of action

Radioactive metals chelating agent

Names and Identifiers

• Canonical Smiles: C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Zn+2]
• IUPAC Name: trisodium;zinc;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
• InChIKey: HVASDHJNLYRZEA-UHFFFAOYSA-I
• INCHI: 1S/C14H23N3O10.3Na.Zn/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;/q;3*+1;+2/p-5
• Isomeric SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Zn+2]
• Molecular Weight: 522.7
• Reaxy-Rn: 15585558
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15585558&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Pentacarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Pentacarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pentacarboxylic acids and derivatives
• Alternative Parents: Alpha amino acids Trialkylamines Carboxylic acid salts Amino acids Organic transition metal salts Carboxylic acids Organopnictogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Pentacarboxylic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Amino acid or derivatives - Carboxylic acid salt - Tertiary amine - Tertiary aliphatic amine - Amino acid - Carboxylic acid - Organic transition metal salt - Organic alkali metal salt - Organic sodium salt - Organic salt - Organic zwitterion - Amine - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y