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ACTIVE PHARMA INGREDIENTS

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1 USDMF

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Chemistry

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Also known as: 7651-99-2, Lexidronam pentasodium salt, Lexidronam pentasodium, Ethylenediamine tetra(methylenephosphonic acid) pentasodium salt, 2zyx2v82ad, Pentasodium;[2-[bis[[hydroxy(oxido)phosphoryl]methyl]amino]ethyl-(phosphonatomethyl)amino]methyl-hydroxyphosphinate

Molecular Formula

C₆H₁₅N₂Na₅O₁₂P₄

Molecular Weight

546.03 g/mol

InChI Key

QPTMDBQLCWRDCK-UHFFFAOYSA-I

FDA UNII

2ZYX2V82AD

1 2D Structure

Ethylenediamine Tetra-Methylenephosphonic Acid Pentasodiumsalt

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

pentasodium;[2-[bis[[hydroxy(oxido)phosphoryl]methyl]amino]ethyl-(phosphonatomethyl)amino]methyl-hydroxyphosphinate

2.1.2 InChI

InChI=1S/C6H20N2O12P4.5Na/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;/q;5*+1/p-5

2.1.3 InChI Key

QPTMDBQLCWRDCK-UHFFFAOYSA-I

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

2ZYX2V82AD

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 7651-99-2

2. Lexidronam Pentasodium Salt

3. Lexidronam Pentasodium

4. Ethylenediamine Tetra(methylenephosphonic Acid) Pentasodium Salt

5. 2zyx2v82ad

6. Pentasodium;[2-[bis[[hydroxy(oxido)phosphoryl]methyl]amino]ethyl-(phosphonatomethyl)amino]methyl-hydroxyphosphinate

7. Edtmp*na5

8. Pentasodium Trihydrogen (ethane-1,2-diylbis(nitrilobis(methylene)))tetrakisphosphonate

9. Phosphonic Acid, (1,2-ethanediylbis(nitrilobis(methylene)))tetrakis-, Pentasodium Salt

10. Edtmp Pentasodium Salt

11. Unii-2zyx2v82ad

12. Einecs 231-615-4

13. Ethylenediaminetetramethylenephosphonic Acid, Pentasodium Salt

14. Methylene Phosphonnic Acid

15. Pentasodium Ethylenediamine Tetramethylene Phosphonate

16. Dtxsid4064763

17. Mfcd03095541

18. Akos025311031

19. Phosphonic Acid, P,p',p'',p'''-(1,2-ethanediylbis(nitrilobis(methylene)))tetrakis-, Sodium Salt (1:5)

20. Q27255875

21. Ethylenediaminetetra(methylenephosphonicacid)pentasodiumsalt

22. Pentasodium Ethylenediaminetetra(methylenephosphonate)

23. Ethylenediamine Tetra(methylene Phosphonic Acid) Pentasodium Sal

24. Ethylene Diamine Tetra (methylene Phosphonic Acid) Pentasodium Salt

25. Pentasodium Ethylenediamine Tetramethylene Phosphonate [inci]

26. Ethylene Diamine Tetra (methylene Phosphonic Acid) Pentasodium Salt (powder)

27. Pentasodium Trihydrogen[ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₅N₂Na₅O₁₂P₄
Molecular Weight	546.03 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	10
Exact Mass	545.9063933 g/mol
Monoisotopic Mass	545.9063933 g/mol
Topological Polar Surface Area	251 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	544
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	6