Diethylenetriaminepentaacetic acid, 99%

• CAS: 67-43-6
• Catalog Number: ACM67436
• Category: Other Products
• Molecular Weight: 393.349g/mol
• Molecular Formula: C14H23N3O10
• 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
• 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

Synthetic Use

Upstream Synthesis Route 1

• 50-00-0
• 143-33-9
• 111-40-0

• 67-43-6

Reference: [1] Nature (London, United Kingdom), 1956, vol. 178, p. 322

Upstream Synthesis Route 2

• 119088-94-7
• 139701-37-4

• 67-43-6

Reference: [1] Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999), 1988, p. 2927 - 2934

Upstream Synthesis Route 3

• 119088-94-7

• 67-43-6

Reference: [1] Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999), 1988, p. 2927 - 2934

Downstream Synthesis Route 1

• 67-56-1
• 67-43-6

• 96121-82-3

Reference: [1]Helvetica Chimica Acta,2004,vol. 87,p. 1077 - 1089
[2]Journal of Organic Chemistry,1990,vol. 55,p. 2868 - 2871

Downstream Synthesis Route 2

• 67-43-6

• 23911-26-4

Reference: [1]Organic and Biomolecular Chemistry,2017,vol. 15,p. 6441 - 6446

Downstream Synthesis Route 3

• 67-43-6
• 95-54-5

• 81238-40-6

Reference: [1]Australian Journal of Chemistry,2010,vol. 63,p. 965 - 977
[2]Journal of the Chemical Society. Chemical communications,1981,p. 1124 - 1125
[3]Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical,2001,vol. 40,p. 316 - 319
[4]Acta Crystallographica, Section C: Crystal Structure Communications,2004,vol. 60,p. m221-m223

* For details of the synthesis route, please refer to the original source to ensure accuracy.