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Substance Name: Benzoic acid, 3-hexanamido-2,4,6-triiodo-
RN: 86166-45-2
InChIKey: OVXVLLCJRMBEDK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-I3-N-O3

Molecular Weight

  • 612.958
 
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Names and Synonyms

Synonyms

  • 3-Caproylamino-2,4,6-triiodobenzoic acid
  • 3-Hexanamido-2,4,6-triiodobenzoic acid
  • 4-14-00-01120 (Beilstein Handbook Reference)
  • Benzoic acid, 2,4,6-triiodo-3-((1-oxohexyl)amino)-
  • BRN 3417701

Systematic Name

  • Benzoic acid, 3-hexanamido-2,4,6-triiodo-

Registry Numbers

CAS Registry Number

  • 86166-45-2

System Generated Number

  • 0086166452

Structure Descriptors

InChI

1S/C13H14I3NO3/c1-2-3-4-5-9(18)17-12-8(15)6-7(14)10(11(12)16)13(19)20/h6H,2-5H2,1H3,(H,17,18)(H,19,20)

InChIKey

OVXVLLCJRMBEDK-UHFFFAOYSA-N

Smiles

c1(c(c(c(I)cc1I)C(O)=O)I)NC(CCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 1450mg/kg (1450mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 42, Pg. 721, 1953.