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Substance Name: Heptasodium diethylenetriaminepentamethylenephosphonate
RN: 68155-78-2
UNII: OK9F2L7QZF
InChIKey: OIPXXWBYRWQVLJ-UHFFFAOYSA-N

Molecular Formula

  • C9-H28-N3-O15-P5.7Na

Molecular Weight

  • 734.126
 
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Names and Synonyms

Name of Substance

  • Heptasodium diethylenetriaminepentamethylenephosphonate

Synonyms

  • Diethylene triamine penta(methylene phosphonic acid), hepta sodium salt
  • EINECS 268-990-9
  • UNII-OK9F2L7QZF

Systematic Names

  • Heptasodium trihydrogen ((bis(2-(bis(phosphonatomethyl)amino)ethyl)amino)methyl)phosphonate
  • Phosphonic acid, (((phosphonomethyl)imino)bis(2,1-ethanediylnitrilobis(methylene)))tetrakis-, heptasodium salt
  • Phosphonic acid, P,P',P'',P'''-(((phosphonomethyl)imino)bis(2,1-ethanediylnitrilobis(methylene)))tetrakis-, sodium salt (1:7)

Registry Numbers

CAS Registry Number

  • 68155-78-2

FDA UNII

  • OK9F2L7QZF

System Generated Number

  • 0068155782

Molecular Formulas

Molecular Formula

  • C9-H28-N3-O15-P5.7Na

Molecular Formula Fragments

  • C9-H28-N3-O15-P5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C9H28N3O15P5.7Na/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);;;;;;;/q;7*+1

InChIKey

OIPXXWBYRWQVLJ-UHFFFAOYSA-N

Smiles

N(CCN(CP(=O)(O)O)CP(O)(=O)O)(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(O)(=O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]