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Substance Name: Hydrocinnamic acid, alpha-ethyl-2,4,6-triiodo-3-valeramido-, sodium salt
RN: 69382-17-8
InChIKey: UHGPPGPIYMXNGS-UHFFFAOYSA-M

Molecular Formula

  • C16-H19-I3-N-O3.Na

Molecular Weight

  • 677.02
 
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Names and Synonyms

Synonyms

  • alpha-Ethyl-2,4,6-triiodo-3-valeramidohydrocinnamic acid sodium salt
  • N-Valeryliopanoic acid sodium salt

Systematic Name

  • Hydrocinnamic acid, alpha-ethyl-2,4,6-triiodo-3-valeramido-, sodium salt

Registry Numbers

CAS Registry Number

  • 69382-17-8

System Generated Number

  • 0069382178

Molecular Formulas

Molecular Formula

  • C16-H19-I3-N-O3.Na

Molecular Formula Fragments

  • C16-H19-I3-N-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H20I3NO3.Na/c1-3-5-6-13(21)20-15-12(18)8-11(17)10(14(15)19)7-9(4-2)16(22)23;/h8-9H,3-7H2,1-2H3,(H,20,21)(H,22,23);/q;+1/p-1

InChIKey

UHGPPGPIYMXNGS-UHFFFAOYSA-M

Smiles

c1(c(c(c(I)cc1I)NC(CCCC)=O)I)C[C@@H](C(=O)[O-])CC.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 997, 1970.