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Substance Name: Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)-
RN: 64511-86-0
InChIKey: COKSANTUGWXIER-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-N2-O6

Molecular Weight

  • 332.31
 
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Names and Synonyms

Synonyms

  • 4-((2-Hydroxy-3-(4-nitrophenoxy)propyl)amino)benzoic acid
  • BRN 2893873

Systematic Name

  • Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)-

Registry Numbers

CAS Registry Number

  • 64511-86-0

System Generated Number

  • 0064511860

Structure Descriptors

InChI

1S/C16H16N2O6/c19-14(9-17-12-3-1-11(2-4-12)16(20)21)10-24-15-7-5-13(6-8-15)18(22)23/h1-8,14,17,19H,9-10H2,(H,20,21)

InChIKey

COKSANTUGWXIER-UHFFFAOYSA-N

Smiles

[N+](c1ccc(OC[C@@H](CNc2ccc(C(=O)O)cc2)O)cc1)([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 15, Pg. 466, 1977.