TRISODIUM AMINOTRIS(METHYLENEPHOSPHONATE)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C3H9NO9P3.3Na
Molecular Weight	364.9955
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TRISODIUM AMINOTRIS(METHYLENEPHOSPHONATE)

Structure Search

SMILES

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

InChI

InChIKey=SOBHUZYZLFQYFK-UHFFFAOYSA-K

InChI=1S/C3H12NO9P3.3Na/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;3*+1/p-3

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	C3H9NO9P3
Molecular Weight	296.0261
Charge	-3
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: http://www.dequest.com/phosphonates/dequest-2000-series/dequest-2006 | Winter, R. (2010) A Consumer's Dictionary of Cosmetic Ingredients, retrieved from: https://books.google.ru/books?id=nTvrEGi_AMoC

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

Title	Date	PubMed
Chelation in root canal therapy reconsidered.	2005 Nov	16249726
Hydrolysis of single linkage in long DNA using oligonucleotide-multiphosphonate conjugates and Ce IV/EDTA.	2008	18776412
Bilateral infiltrative orbital disease: is it chemically induced?	2008 Oct	18982043
Adsorptive removal of nitrilotris(methylenephosphonic acid) antiscalant from membrane concentrates by iron-coated waste filtration sand.	2010 Oct 15	20667427

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:42:43 GMT 2023` Edited by `admin` on `Fri Dec 15 19:42:43 GMT 2023`
Record UNII	GBZ46EI9DI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRISODIUM AMINOTRIS(METHYLENEPHOSPHONATE)

Common Name

English

PHOSPHONIC ACID, (NITRILOTRIS(METHYLENE))TRIS-, TRISODIUM SALT

Common Name

English

PHOSPHONIC ACID, (NITRILOTRIS(METHYLENE))TRI-, TRISODIUM SALT

Common Name

English

NITRILOTRIS(METHYLENEPHOSPHONIC ACID) TRISODIUM

Common Name

English

PHOSPHONIC ACID, P,P',P''-(NITRILOTRIS(METHYLENE))TRIS-, SODIUM SALT (1:3)

Common Name

English

TRISODIUM TRIHYDROGEN NITRILOTRIS(METHYLPHOSPHONATE)

Common Name

English

NITRILOTRIS(METHYLENEPHOSPHONIC ACID) TRISODIUM SALT

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

231-520-8