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Substance Name: beta-Alanine, N-(2,4,6-triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)-
RN: 57469-52-0
InChIKey: RUVULDYMOGRFPB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H16-I3-N3-O6

Molecular Weight

  • 715.0064
 
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Names and Synonyms

Synonyms

  • BRN 2918625
  • N-(2,4,6-Triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)-beta-alanine

Systematic Name

  • beta-Alanine, N-(2,4,6-triiodo-3-((methoxyacetyl)amino)-5-((methylamino)carbonyl)benzoyl)-

Registry Numbers

CAS Registry Number

  • 57469-52-0

System Generated Number

  • 0057469520

Structure Descriptors

InChI

1S/C15H16I3N3O6/c1-19-14(25)8-10(16)9(15(26)20-4-3-7(23)24)12(18)13(11(8)17)21-6(22)5-27-2/h3-5H2,1-2H3,(H,19,25)(H,20,26)(H,21,22)(H,23,24)

InChIKey

RUVULDYMOGRFPB-UHFFFAOYSA-N

Smiles

CNC(=O)c1c(I)c(NC(=O)COC)c(I)c(C(=O)NCCC(=O)O)c1I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous > 18gm/kg (18000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 84, 1975.