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Substance Name: Benzeneacetic acid, alpha-(((4-((methylamino)carbonyl)-2,3,5,6-tetraiodobenzoyl)amino)methyl)-
RN: 29779-60-0
InChIKey: QMDJQKHMJNXUEJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H14-I4-N2-O4

Molecular Weight

  • 829.919
 
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Names and Synonyms

Synonyms

  • alpha-(((4-((Methylamino)carbonyl)-2,3,5,6-tetraiodobenzoyl)amino)methyl)benzeneacetic acid
  • beta-((4-Methylcarbamoyl-2,3,5,6-tetrajod-benzoyl)-amino)-alpha-phenylpropionsaure
  • beta-((4-Methylcarbamoyl-2,3,5,6-tetrajod-benzoyl)-amino)-alpha-phenylpropionsaure [German]
  • BRN 2955938

Systematic Name

  • Benzeneacetic acid, alpha-(((4-((methylamino)carbonyl)-2,3,5,6-tetraiodobenzoyl)amino)methyl)-

Registry Numbers

CAS Registry Number

  • 29779-60-0

System Generated Number

  • 0029779600

Structure Descriptors

InChI

1S/C18H14I4N2O4/c1-23-16(25)10-12(19)14(21)11(15(22)13(10)20)17(26)24-7-9(18(27)28)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,23,25)(H,24,26)(H,27,28)

InChIKey

QMDJQKHMJNXUEJ-UHFFFAOYSA-N

Smiles

c1(ccccc1)[C@@H](C(=O)O)CNC(c1c(c(c(c(c1I)I)C(=O)NC)I)I)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 250mg/kg (250mg/kg)   Helvetica Chimica Acta. Vol. 54, Pg. 2097, 1971.
mouse LD50 oral > 8gm/kg (8000mg/kg)   Helvetica Chimica Acta. Vol. 54, Pg. 2097, 1971.