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CAS 207226-35-5

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Calciate(3-), [N-[2-[bis[(carboxy-κO)methyl]amino-κN]ethyl]-N-[2-[[(carboxy-κO)methyl](carboxymethyl)amino-κN]ethyl]glycinato(5-)-κN]-, trisodium, hydrate

Description:
The chemical substance known as Calciate(3-), with the CAS number 207226-35-5, is a complex organic compound that functions as a chelating agent. It is characterized by its ability to form stable complexes with metal ions, particularly calcium, which is essential for various biological processes. The structure includes multiple carboxymethyl groups that enhance its solubility in water and its binding affinity for metal ions. As a trisodium salt, it is typically encountered in a hydrated form, which contributes to its stability and solubility in aqueous solutions. This compound is often utilized in biochemical applications, including as a buffer or stabilizing agent in various formulations. Its chelating properties make it valuable in both research and industrial contexts, particularly in areas involving metal ion regulation and transport. Overall, Calciate(3-) is notable for its multifunctional nature and its role in facilitating interactions between metal ions and biological molecules.
Formula:C14H18CaN3O10·xH2O·3Na
InChI:InChI=1S/C14H23N3O10.Ca.3Na.H2O/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);;;;;1H2/q;+2;3*+1;/p-5
InChI key:InChIKey=AWBWYUNJDQLQGT-UHFFFAOYSA-I
SMILES:C(C([O-])=O)[N]12[Ca+2]345([N](CC1)(CC(=O)[O-]3)CC(=O)[O-]4)[N](CC([O-])=O)(CC2)CC(=O)[O-]5.[Na+].O
Synonyms:
  • Calciate(3-), [N-[2-[bis[(carboxy-κO)methyl]amino-κN]ethyl]-N-[2-[[(carboxy-κO)methyl](carboxymethyl)amino-κN]ethyl]glycinato(5-)-κN]-, trisodium, hydrate
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