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Substance Name: Benzoic acid, 4-(((hydroxyphosphinyl)phenylmethyl)amino)-, ethyl ester, monosodium salt
RN: 160092-76-2
InChIKey: MNQIDAOJAWGOLT-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-N-O4-P.Na

Molecular Weight

  • 341.2773
 
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Names and Synonyms

Synonyms

  • Ethyl 4-(((hydroxyphosphinyl)phenylmethyl)amino)benzoate monosodium salt
  • Sodium alpha-((4-ethoxycarbonylphenyl)amino)benzylphosphinate

Systematic Name

  • Benzoic acid, 4-(((hydroxyphosphinyl)phenylmethyl)amino)-, ethyl ester, monosodium salt

Registry Numbers

CAS Registry Number

  • 160092-76-2

System Generated Number

  • 0160092762

Molecular Formulas

Molecular Formula

  • C16-H17-N-O4-P.Na

Molecular Formula Fragments

  • C16-H17-N-O4-P
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H18NO4P.Na/c1-2-21-16(18)13-8-10-14(11-9-13)17-15(22(19)20)12-6-4-3-5-7-12;/h3-11,15,17,22H,2H2,1H3,(H,19,20);/q;+1/p-1

InChIKey

MNQIDAOJAWGOLT-UHFFFAOYSA-M

Smiles

CCOC(=O)c1ccc(cc1)NC(c2ccccc2)P(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 700mg/kg (700mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 465, 1996.