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Substance Name: Benzoic acid, 4-((phosphono-3-pyridinylmethyl)amino)-, 1-ethyl ester
RN: 160092-85-3
InChIKey: NJQVAKMWIIYXDB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H17-N2-O5-P

Molecular Weight

  • 336.2823
 
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Names and Synonyms

Synonym

  • 1-Ethyl 4-((phosphono-3-pyridinylmethyl)amino)benzoate

Systematic Name

  • Benzoic acid, 4-((phosphono-3-pyridinylmethyl)amino)-, 1-ethyl ester

Registry Numbers

CAS Registry Number

  • 160092-85-3

Other Registry Number

  • 182228-01-9

System Generated Number

  • 0160092853

Structure Descriptors

InChI

1S/C15H17N2O5P/c1-2-22-15(18)11-5-7-13(8-6-11)17-14(23(19,20)21)12-4-3-9-16-10-12/h3-10,14,17H,2H2,1H3,(H2,19,20,21)

InChIKey

NJQVAKMWIIYXDB-UHFFFAOYSA-N

Smiles

CCOC(=O)c1ccc(cc1)NC(c2cccnc2)P(=O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 30, Pg. 465, 1996.