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Substance Name: Valeric acid, 2-(3-(N-methylacetamido)-2,4,6-triiodophenyl)-
RN: 23279-55-2
InChIKey: AMIVWKJDCSIIIA-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-Methylacetamido)-2,4,6-triiodophenyl)valeric acid
  • BRN 3038218
  • Pentanoic acid, 2-(3-(N-methylacetamido)-2,4,6-triiodophenyl)-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 23279-55-2

System Generated Number

  • 0023279552

Structure Descriptors

InChI

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

InChIKey

AMIVWKJDCSIIIA-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 550mg/kg (550mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 559, 1970.
mouse LD50 oral 2800mg/kg (2800mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 559, 1970.