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Substance Name: Butyric acid, 2-(3-(N-ethylacetamido)-2,4,6-triiodophenyl)-
RN: 23279-54-1
InChIKey: IXPFNDDSBURDAF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-I3-N-O3

Molecular Weight

  • 626.984
 
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Names and Synonyms

Synonyms

  • 2-(3-(N-Ethylacetamido)-2,4,6-triiodophenyl)butyric acid
  • BRN 3038217

Systematic Name

  • Butyric acid, 2-(3-(N-ethylacetamido)-2,4,6-triiodophenyl)-

Registry Numbers

CAS Registry Number

  • 23279-54-1

System Generated Number

  • 0023279541

Structure Descriptors

InChI

1S/C14H16I3NO3/c1-4-8(14(20)21)11-9(15)6-10(16)13(12(11)17)18(5-2)7(3)19/h6,8H,4-5H2,1-3H3,(H,20,21)

InChIKey

IXPFNDDSBURDAF-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 420mg/kg (420mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 559, 1970.
mouse LD50 oral 1260mg/kg (1260mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 559, 1970.