Diethylenetriaminepentaacetic Acid Calcium Trisodium Salt
[CAS 62796-80-9]

Identification

• Name: Diethylenetriaminepentaacetic Acid Calcium Trisodium Salt
• Synonyms: Calcium Trisodium 2-[2-[2-Bis(2-Oxido-2-Oxo-Ethyl)Ammonioethyl-(2-Oxido-2-Oxo-Ethyl)Ammonio]Ethyl-(2-Oxido-2-Oxo-Ethyl)Ammonio]Acetate; Calcium Trisodium 2-[2-[2-Bis(2-Oxido-2-Oxoethyl)Ammonioethyl-(2-Oxido-2-Oxoethyl)Ammonio]Ethyl-(2-Oxido-2-Oxoethyl)Ammonio]Acetate; Calcium Trisodium 2-[2-[2-Bis(2-Keto-2-Oxido-Ethyl)Ammonioethyl-(2-Keto-2-Oxido-Ethyl)Ammonio]Ethyl-(2-Keto-2-Oxido-Ethyl)Ammonio]Acetate
• Molecular Formula: C₁₄H₂₁CaN₃Na₃O₁₀
• Molecular Weight: 500.38
• CAS Registry Number: 62796-80-9
• SMILES: [Ca++]|1|2|3|4|5|[NH+](CC[NH+]|1(CC([O-]|2)=O)CC([O-]|3)=O)(CC[NH+]|4(CC([O-]|5)=O)CC([O-])=O)CC([O-])=O.[Na+].[Na+].[Na+]
• InChI: 1S/C14H23N3O10.Ca.3Na/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;+2;3*+1/p-2
• InChIKey: AYFCVLSUPGCQKD-UHFFFAOYSA-L