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Details

Stereochemistry ACHIRAL
Molecular Formula C3H8NO9P3.4Na
Molecular Weight 386.9773
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TETRASODIUM (NITRILOTRIS(METHYLENE))TRISPHOSPHONATE

SMILES

[Na+].[Na+].[Na+].[Na+].OP([O-])(=O)CN(CP(O)([O-])=O)CP([O-])([O-])=O

InChI

InChIKey=CXKLLWYSNDLIRU-UHFFFAOYSA-J
InChI=1S/C3H12NO9P3.4Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;/q;4*+1/p-4

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C3H8NO9P3
Molecular Weight 295.0182
Charge -4
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Pentasodium aminotrimethylene phosphonate (Dequest® 2006) is a general purpose, cost-effective scale inhibitor based on amino tri methylene phosphonic acid pentasodium salt. Dequest® 2006 provides corrosion inhibition with zinc and phosphates and is a good chelant. In cosmetics, pentasodium aminotrimethylene phosphonate is used as an emulsifier.

Approval Year

PubMed

PubMed

TitleDatePubMed
Chelation in root canal therapy reconsidered.
2005 Nov
Potentiometric studies of binary and ternary complexes involving cadmium(II) and nitrilo-tris(methyl phosphonic acid) with amino acids, peptides and DNA constituents.
2007 Aug
Hydrolysis of single linkage in long DNA using oligonucleotide-multiphosphonate conjugates and Ce IV/EDTA.
2008
Bilateral infiltrative orbital disease: is it chemically induced?
2008 Oct
Equilibrium and kinetic investigations of the interaction of model platinum(II) complex with DNA constituents in reference to the antitumour activity: complex-formation reactions of [Pd(N,N-diethylethylenediamine)(H2O)2]2+ with ligands of biological significance and displacement reactions of DNA constituents.
2009
An ATR-FTIR study of different phosphonic acids adsorbed onto boehmite.
2010 Apr
Adsorptive removal of nitrilotris(methylenephosphonic acid) antiscalant from membrane concentrates by iron-coated waste filtration sand.
2010 Oct 15
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:14:53 GMT 2023
Edited
by admin
on Sat Dec 16 08:14:53 GMT 2023
Record UNII
7W7PN3133W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TETRASODIUM (NITRILOTRIS(METHYLENE))TRISPHOSPHONATE
Systematic Name English
TETRASODIUM AMINOTRIS(METHYLENEPHOSPHONATE)
Common Name English
PHOSPHONIC ACID, P,P',P''-(NITRILOTRIS(METHYLENE))TRIS-, SODIUM SALT (1:4)
Systematic Name English
NITRILOTRIS(METHYLENEPHOSPHONIC ACID) TETRASODIUM SALT
Systematic Name English
PHOSPHONIC ACID, (NITRILOTRIS(METHYLENE))TRIS-, TETRASODIUM SALT
Common Name English
Code System Code Type Description
PUBCHEM
14367516
Created by admin on Sat Dec 16 08:14:53 GMT 2023 , Edited by admin on Sat Dec 16 08:14:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID1029837
Created by admin on Sat Dec 16 08:14:53 GMT 2023 , Edited by admin on Sat Dec 16 08:14:53 GMT 2023
PRIMARY
ECHA (EC/EINECS)
301-416-8
Created by admin on Sat Dec 16 08:14:53 GMT 2023 , Edited by admin on Sat Dec 16 08:14:53 GMT 2023
PRIMARY
FDA UNII
7W7PN3133W
Created by admin on Sat Dec 16 08:14:53 GMT 2023 , Edited by admin on Sat Dec 16 08:14:53 GMT 2023
PRIMARY
CAS
94021-23-5
Created by admin on Sat Dec 16 08:14:53 GMT 2023 , Edited by admin on Sat Dec 16 08:14:53 GMT 2023
PRIMARY
CAS
20592-85-2
Created by admin on Sat Dec 16 08:14:53 GMT 2023 , Edited by admin on Sat Dec 16 08:14:53 GMT 2023
NON-SPECIFIC STOICHIOMETRY