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Substance Name: Hydrocinnamic acid, 3-acetamido-alpha-ethyl-2,4,6-triiodo-
RN: 51374-99-3
InChIKey: VIWQRTRTPHAESA-UHFFFAOYSA-N

Molecular Formula

  • C13-H14-I3-N-O3

Molecular Weight

  • 612.958
 
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Names and Synonyms

Synonyms

  • 3-Acetamido-alpha-ethyl-2,4,6-triiodohydrocinnamic acid
  • 4-14-00-01741 (Beilstein Handbook Reference)
  • BRN 2767480
  • N-Acetyliopanoic acid

Systematic Name

  • Hydrocinnamic acid, 3-acetamido-alpha-ethyl-2,4,6-triiodo-

Registry Numbers

CAS Registry Number

  • 51374-99-3

System Generated Number

  • 0051374993

Structure Descriptors

InChI

1S/C13H14I3NO3/c1-3-7(13(19)20)4-8-9(14)5-10(15)12(11(8)16)17-6(2)18/h5,7H,3-4H2,1-2H3,(H,17,18)(H,19,20)

InChIKey

VIWQRTRTPHAESA-UHFFFAOYSA-N

Smiles

c1(c(c(c(I)cc1I)NC(C)=O)I)C[C@@H](C(O)=O)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1020mg/kg (1020mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 997, 1970.