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Substance Name: Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester, monosodium salt
RN: 182227-97-0
InChIKey: QAIZPMVYGUGCDE-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-N-O5-P.Na

Molecular Weight

  • 357.2763
 
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Names and Synonyms

Synonyms

  • 1-Ethyl 4-((phenylphosphonomethyl)amino)benzoate monosodium salt
  • 4-(alpha-Phosphonobenzylamino)benzoic acid ethyl ester monosodium salt

Systematic Name

  • Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester, monosodium salt

Registry Numbers

CAS Registry Number

  • 182227-97-0

System Generated Number

  • 0182227970

Molecular Formulas

Molecular Formula

  • C16-H17-N-O5-P.Na

Molecular Formula Fragments

  • C16-H17-N-O5-P
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H18NO5P.Na/c1-2-12-8-9-13(10-15(12)16(18)19)17-11-23(20,21)22-14-6-4-3-5-7-14;/h3-10,17H,2,11H2,1H3,(H,18,19)(H,20,21);/q;+1/p-1

InChIKey

QAIZPMVYGUGCDE-UHFFFAOYSA-M

Smiles

CCc1ccc(cc1C(=O)[O-])NCP(=O)(O)Oc2ccccc2.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 750mg/kg (750mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 465, 1996.