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Substance Name: Pentasodium nitrilotris(methylenephosphonate)
RN: 2235-43-0
UNII: IEE518JT88
InChIKey: OSBMVGFXROCQIZ-UHFFFAOYSA-I

Molecular Formula

  • C3-H12-N-O9-P3.5Na

Molecular Weight

  • 408.958
 
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Names and Synonyms

Name of Substance

  • Aminotri(methylenephosphonic acid) pentasodium salt
  • Pentasodium (nitrilotris(methylene))trisphosphonate
  • Pentasodium aminotrimethylene phosphonate
  • Pentasodium nitrilotris(methylenephosphonate)
  • Phosphonic acid, (nitrilotris(methylene))tris-, pentasodium salt

Synonyms

  • Aminotri(methylene phosphonic acid) pentasodium salt
  • Aminotri(methylenephosphonic acid), pentasodium salt
  • Aminotris(methylenephoshonic acid) pentasodium salt
  • Aminotris(methylphosphonic acid), pentasodium salt
  • Dequest 2006
  • EINECS 218-791-8
  • HSDB 5870
  • Kenrox 106
  • Nitrilo(methylenephosphonic acid), pentasodium salt
  • Nitrilotri(methylenephosphonic acid), pentasodium salt
  • Nitrilotris(methylenephosphonic acid) pentasodium salt
  • Pentasodium aminotris(methylphosphonic acid)
  • Pentasodium nitrilotris(methylenephosphonate)
  • Pentasodium(nitrilotris(methylene))triphosphonate
  • Phosphonic acid, (nitrilotris(methylene))tri-, pentasodium salt
  • Phosphonic acid, (nitrilotris(methylene))tris-, pentasodium salt
  • UNII-IEE518JT88

Systematic Names

  • Pentasodium hydrogen C,C',C''-nitrilotris(methylphosphonate)
  • Phosphonic acid, (nitrilotris(methylene))tri-, pentasodium salt
  • Phosphonic acid, (nitrilotris(methylene))tris-, pentasodium salt
  • Phosphonic acid, P,P',P''-(nitrilotris(methylene))tris-, sodium salt (1:5)

Superlist Name

  • Phosphonic acid, (nitrilotris(methylene))tri-, pentasodium salt

Registry Numbers

CAS Registry Number

  • 2235-43-0

FDA UNII

  • IEE518JT88

Other Registry Numbers

  • 11138-19-5
  • 161006-30-0

Related Registry Number

  • 6419-19-8 (Parent)

System Generated Number

  • 0002235430

Molecular Formulas

Molecular Formula

  • C3-H12-N-O9-P3.5Na

Molecular Formula Fragments

  • C3-H12-N-O9-P3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C3H12NO9P3.5Na/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;5*+1/p-5

InChIKey

OSBMVGFXROCQIZ-UHFFFAOYSA-I

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
duck LD50 oral > 2510mg/kg (2510mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0990-0937,
quail LD50 oral > 2510mg/kg (2510mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0990-0937,
rabbit LD50 skin > 15800mg/kg (15800mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0990-0937,
rat LD50 oral 17800mg/kg (17800mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0990-0937,