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Substance Name: Propionic acid, 3-(3-(2-oxopiperidino)-2,4,6-triiodophenyl)-2-phenyl-, sodium salt
RN: 21761-90-0
InChIKey: RJIHXOGEXSJTJY-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H17-I3-N-O3.Na

Molecular Weight

  • 723.048
 
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Names and Synonyms

Synonym

  • 3-(3-(2-Oxopiperidino)-2,4,6-triiodophenyl)-2-phenylpropionic acid sodium salt

Systematic Name

  • Propionic acid, 3-(3-(2-oxopiperidino)-2,4,6-triiodophenyl)-2-phenyl-, sodium salt

Registry Numbers

CAS Registry Number

  • 21761-90-0

System Generated Number

  • 0021761900

Molecular Formulas

Molecular Formula

  • C20-H17-I3-N-O3.Na

Molecular Formula Fragments

  • C20-H17-I3-N-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H18I3NO3.Na/c21-15-11-16(22)19(24-9-5-4-8-17(24)25)18(23)14(15)10-13(20(26)27)12-6-2-1-3-7-12;/h1-3,6-7,11,13H,4-5,8-10H2,(H,26,27);/q;+1/p-1

InChIKey

RJIHXOGEXSJTJY-UHFFFAOYSA-M

Smiles

[Na+].C([C@@H](Cc1c(c(c(cc1I)I)N1C(CCCC1)=O)I)c1ccccc1)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 500mg/kg (500mg/kg)   Pharmazie. Vol. 30, Pg. 78, 1975.
mouse LD50 oral 2150mg/kg (2150mg/kg)   Pharmazie. Vol. 30, Pg. 78, 1975.