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Substance Name: Benzoic acid, 4-((phenylphosphonomethyl)amino)-, trisodium salt
RN: 182228-06-4
InChIKey: DYSSDVMVOCPSLZ-UHFFFAOYSA-K

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H11-N-O5-P.3Na

Molecular Weight

  • 373.1869
 
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Names and Synonyms

Synonyms

  • 4-(alpha-Disodiumphosphonatobenzylamino)benzoic acid sodium salt
  • Trisodium 4-((phenylphosphonomethyl)amino)benzoate

Systematic Name

  • Benzoic acid, 4-((phenylphosphonomethyl)amino)-, trisodium salt

Registry Numbers

CAS Registry Number

  • 182228-06-4

System Generated Number

  • 0182228064

Molecular Formulas

Molecular Formula

  • C14-H11-N-O5-P.3Na

Molecular Formula Fragments

  • C14-H11-N-O5-P
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C14H14NO5P.3Na/c16-14(17)11-6-8-13(9-7-11)15(10-21(18,19)20)12-4-2-1-3-5-12;;;/h1-9H,10H2,(H,16,17)(H2,18,19,20);;;/q;3*+1/p-3

InChIKey

DYSSDVMVOCPSLZ-UHFFFAOYSA-K

Smiles

c1ccc(cc1)N(CP(=O)([O-])[O-])c2ccc(cc2)C(=O)[O-].[Na+].[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1500mg/kg (1500mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 465, 1996.