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Substance Name: Benzoic acid, 4-((phenylphosphonomethyl)amino)-, 1-ethyl ester
RN: 182227-98-1
InChIKey: SAQDMEDRCBESIC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-N-O5-P

Molecular Weight

  • 335.2942
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 182227-98-1

System Generated Number

  • 0182227981

Structure Descriptors

InChI

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

InChIKey

SAQDMEDRCBESIC-UHFFFAOYSA-N

Smiles

CCOC(=O)c1ccc(cc1)NCP(=O)(O)Oc2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 465, 1996.