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869-52-3,MFCD00004290
Catalog No.:AA00GS5I

869-52-3 | Triethylenetetramine-n,n,n',n'',n''',n'''-hexaacetic acid

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1g
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$95.00   $67.00
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5g
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00GS5I
Chemical Name:
Triethylenetetramine-n,n,n',n'',n''',n'''-hexaacetic acid
CAS Number:
869-52-3
Molecular Formula:
C18H30N4O12
Molecular Weight:
494.4504
MDL Number:
MFCD00004290
SMILES:
OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC(=O)O
Properties
Computed Properties
 
Complexity:
640  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
6  
Rotatable Bond Count:
21  
XLogP3:
-11.2  

Downstream Synthesis Route
869-52-3    19840-99-4   
{{2-(2-2-(Bis-carboxymethyl-amino)-ethyl-carboxymethyl-amino}-ethyl)-carboxymethyl-amino-ethyl}-(4-methyl-2-oxo-1,2-dihydro-quinolin-7-ylcarbamoyl)-methyl-amino}-aceticacid 

[1]JournaloftheAmericanChemicalSociety,1995,vol.117,p.8132-8138

[1]InorganicChemistry,2011,vol.50,p.3471-3478

869-52-3    136586-99-7   
C148H266N10O42 

[1]Rivero-Buceta,Eva;Doyagüez,ElisaG.;Colomer,Ignacio;Quesada,Ernesto;Mathys,Leen;Noppen,Sam;Liekens,Sandra;Camarasa,María-José;Pérez-Pérez,María-Jesús;Balzarini,Jan;San-Félix,Ana[EuropeanJournalofMedicinalChemistry,2015,vol.106,p.34-43]

Literature

Title: Kinetics of the exchange reactions between Gd(DTPA)2-, Gd(BOPTA)2-, and Gd(DTPA-BMA) complexes, used as MRI contrast agents, and the triethylenetetraamine-hexaacetate ligand.

Journal: Inorganic chemistry 20110418

Title: Luminescent probes for ultrasensitive detection of nucleic acids.

Journal: Bioconjugate chemistry 20100217

Title: New 9- or 10-dentate luminescent lanthanide chelates.

Journal: Bioconjugate chemistry 20080501

Title: Measured rates of fluoride/metal association correlate with rates of superoxide/metal reactions for Fe(III)EDTA(H2O)- and related complexes.

Journal: Journal of the American Chemical Society 20080206

Title: Improving sensitivity in simultaneous determination of copper carboxylates by nonaqueous capillary electrophoresis.

Journal: Journal of chromatography. A 20060331

Title: Synthesis and metal complexation properties of Ph-DTPA and Ph-TTHA: novel radionuclide chelating agents for use in nuclear medicine.

Journal: Organic & biomolecular chemistry 20050207

Title: Interactions of diethylenetriaminepentaacetic acid (dtpa) and triethylenetetraaminehexaacetic acid (ttha) with major components of natural waters.

Journal: Analytical and bioanalytical chemistry 20030401

Title: The effects of the NMR shift-reagents Dy(PPP)2, Dy(TTHA) and Tm(DOTP) on developed pressure in isolated perfused rat hearts. The role of shift-reagent calcium complexes.

Journal: Journal of molecular and cellular cardiology 20011101

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