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Substance Name: Valeric acid, 2-(3-acetamido-2,4,6-triiodophenyl)-
RN: 23217-87-0
InChIKey: DJFPKDMQDASJED-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

  • 2-(3-Acetamido-2,4,6-triiodophenyl)valeric acid
  • BRN 3037689

Systematic Name

  • Valeric acid, 2-(3-acetamido-2,4,6-triiodophenyl)-

Registry Numbers

CAS Registry Number

  • 23217-87-0

System Generated Number

  • 0023217870

Structure Descriptors

InChI

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

InChIKey

DJFPKDMQDASJED-UHFFFAOYSA-N

Smiles

C([C@@H](CCC)c1c(c(c(cc1I)I)NC(C)=O)I)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 700mg/kg (700mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 559, 1970.
mouse LD50 oral 4gm/kg (4000mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 559, 1970.