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Substance Name: Valeric acid, 2-(3-(N-ethylacetamido)-2,4,6-triiodophenyl)-
RN: 23217-88-1
InChIKey: MTFCMQHMVLKUQV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-I3-N-O3

Molecular Weight

  • 641.011
 
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Names and Synonyms

Synonyms

  • 2-(3-(N-Ethylacetamido)-2,4,6-triiodophenyl)valeric acid
  • BRN 3038946
  • Pentanoic acid, 2-(3-(N-ethylacetamido)-2,4,6-triiodophenyl)-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 23217-88-1

System Generated Number

  • 0023217881

Structure Descriptors

InChI

1S/C15H18I3NO3/c1-4-6-9(15(21)22)12-10(16)7-11(17)14(13(12)18)19(5-2)8(3)20/h7,9H,4-6H2,1-3H3,(H,21,22)

InChIKey

MTFCMQHMVLKUQV-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 170mg/kg (170mg/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.