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    Diethylenetriamine pentamethylene phosphonic acid

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 1Xls

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    2D Structure
    Also known as: 15827-60-8, Diethylenetriaminepenta(methylene-phosphonic acid), [bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid, Diethylenetriaminepentakis(methylphosphonic acid) solution, Diethylenetriaminepenta(methylenephosphonic) acid, Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-
    Molecular Formula
    C9H28N3O15P5
    Molecular Weight
    573.20  g/mol
    InChI Key
    DUYCTCQXNHFCSJ-UHFFFAOYSA-N
    FDA UNII
    0Q75589TM3
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid
    2.1.2 InChI
    InChI=1S/C9H28N3O15P5/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)
    2.1.3 InChI Key
    DUYCTCQXNHFCSJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
    2.2 Other Identifiers
    2.2.1 UNII
    0Q75589TM3
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Diethylenetriaminepenta(methylenephosphonic) Acid

    2. Diethylenetriaminepenta(methylenephosphonic) Acid, Ammonium Salt

    3. Diethylenetriaminepenta(methylenephosphonic) Acid, Calcium Salt

    4. Diethylenetriaminepenta(methylenephosphonic) Acid, Calcium, Octasodium (1:1:8) Salt

    5. Diethylenetriaminepenta(methylenephosphonic) Acid, Calcium, Sodium Salt

    6. Diethylenetriaminepenta(methylenephosphonic) Acid, Dicalcium, Hexasodium (1:2:6) Salt

    7. Diethylenetriaminepenta(methylenephosphonic) Acid, Dicalcium, Sodium (1:2:1) Salt

    8. Diethylenetriaminepenta(methylenephosphonic) Acid, Sodium Salt

    9. Diethylenetriaminepenta-(methylenephosphonic Acid)

    10. Dtpmp Cpd

    11. Dtpmt

    2.3.2 Depositor-Supplied Synonyms

    1. 15827-60-8

    2. Diethylenetriaminepenta(methylene-phosphonic Acid)

    3. [bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic Acid

    4. Diethylenetriaminepentakis(methylphosphonic Acid) Solution

    5. Diethylenetriaminepenta(methylenephosphonic) Acid

    6. Phosphonic Acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-

    7. Phosphonic Acid,[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-

    8. 0q75589tm3

    9. Diethylenetriaminepenta(methylenephosphonic Acid)

    10. Phosphonic Acid, P,p',p'',p'''-(((phosphonomethyl)imino)bis(2,1-ethanediylnitrilobis(methylene)))tetrakis-

    11. Dtpmp

    12. Unii-0q75589tm3

    13. Phosphonic Acid, (((phosphonomethyl)imino)bis(2,1-ethanediylnitrilobis(methylene)))tetrakis-

    14. Einecs 239-931-4

    15. Versenate Ps

    16. Ec 239-931-4

    17. Schembl22924

    18. Sequion 40 H 50

    19. Diethylenetriamine, Pentamethylenepentaphosphonic Acid

    20. Dtxsid0027775

    21. Mfcd00129718

    22. Zinc59129438

    23. Akos025310980

    24. (((phosphonomethyl)imino)bis(ethane-2,1-diylnitrilobis(methylene)))tetrakisphosphonic Acid

    25. Ft-0624891

    26. Diethylenetriamine Pentamethylenephosphonic Acid

    27. F71190

    28. 827d608

    29. A809915

    30. J-009490

    31. Q3011490

    32. Ethylenetriaminepenta(methylenephosphonic Acid)

    33. Diethylenetriaminepenta(methylenephosphonic Acid) Solution

    34. Diethylenetriamine-pentakis(methylenephosphonic) Acid

    35. Diethylenetriamine Pentamethylene Phosphonic Acid [inci]

    36. [(bis{2-[bis(phosphonomethyl)amino]ethyl}amino)methyl]phosphonic Acid

    37. Diethylenetriamine-n,n,n',n'',n''-penta(methylenephosphonic Acid)

    38. Diethylenetriamine-n,n,n',n'',n''-pentakis(methylenephosphonic Acid)

    39. Diethylenetriaminepentakis(methylphosphonic Acid) Solution 50% In 15% Hcl: 35% H2o

    40. Diethylenetriaminepentakis(methylphosphonic Acid) Solution, Technical, ~50% (t)

    41. Phosphonic Acid, ((bis(2-(bis(phosphonomethyl)amino)ethyl)amino)methyl)-

    42. 244775-22-2

    43. 67774-91-8

    44. Phosphonic Acid, (((phosphonomethyl)imino)bis(2,1- Ethanediylnitrilobis(methylene)))tetrakis-

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 573.20 g/mol
    Molecular Formula C9H28N3O15P5
    XLogP3-15.1
    Hydrogen Bond Donor Count10
    Hydrogen Bond Acceptor Count18
    Rotatable Bond Count16
    Exact Mass573.02085218 g/mol
    Monoisotopic Mass573.02085218 g/mol
    Topological Polar Surface Area297 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity720
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1