Diethylenetriaminepentaacetic acid, 99%

• Catalog Number: ACM67436
• Product Name: Diethylenetriaminepentaacetic acid, 99%
• CAS: 67-43-6
• Category: Heterocyclic Organic Compound
• Synonyms: FT-0083201; Pentetic acid, United States Pharmacopeia (USP) Reference Standard; Detarex; Hamp-Ex Acid; NSC-759314; NCGC00261116-01; Diethylenetriaminepentaacetic acid. (Note-The sodium salts are named as follows: pentetate monosodium (1 Na ion); NSC759314; NSC7340; AN-DTPA
• IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
• Molecular Weight: 393.349g/mol
• Molecular Formula: C14H23N3O10
• Canonical SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
• InChI: InChI=1S/C14H23N3O10/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)
• InChI Key: QPCDCPDFJACHGM-UHFFFAOYSA-N
• Application: Diethylenetriaminepentaacetic Acid is a component of manganese and zinc fertilizers.Pentetic acid is mainly used as a chelating agent in the preparation of imaging and contrast agents for radionuclide and magnetic resonance imaging.It is also used as a carrier excipient for neutron-capture isotopes in, for example, radiotherapy.Pentetic acid-isotope complexes have also been considered as model active substances in scintigraphic imaging studies.Pentetic acid has been used to chelate metal ions to reduce formation of reactive oxygen species during lyophilization.
• Storage: The activity of pentetic acid as a chelating agent may cause; unwanted effects in formulations containing metal ions. The desired; chelate may be displaced by other ions from the formulation.-20°C
• Complexity: 481
• Covalently-Bonded Unit Count: 1
• EC Number: 200-652-8
• Exact Mass: 393.138g/mol
• H-Bond Acceptor: 13
• H-Bond Donor: 5
• Heavy Atom Count: 27
• Monoisotopic Mass: 393.138g/mol
• NSC Number: 759314
• Other Experimental: White crystalline solid. MP 230 deg C (decomposes). Slightly soluble in cold water; insoluble in hot water. /Diethylenetriamine pentaacetic acid/;MW: 393.35 /Diethylenetriamine pentaacetic acid/
• Physical Description: DryPowder
• Rotatable Bond Count: 16
• Topological Polar Surface Area: 196A^2
• UNII: 7A314HQM0I