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Substance Name: Butyric acid, 2-(2-(3-(N-methylacetamido)-2,4,6-triiodophenoxy)ethoxy)-, sodium salt
RN: 100700-34-3
InChIKey: HRGSQVMJHXGLGV-UHFFFAOYSA-M

Molecular Formula

  • C15-H17-I3-N-O5.Na

Molecular Weight

  • 694.991
 
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Names and Synonyms

Synonym

  • 2-(2-(3-(N-Methylacetamido)-2,4,6-triiodophenoxy)ethoxy)butyric acid sodium salt

Systematic Name

  • Butyric acid, 2-(2-(3-(N-methylacetamido)-2,4,6-triiodophenoxy)ethoxy)-, sodium salt

Registry Numbers

CAS Registry Number

  • 100700-34-3

System Generated Number

  • 0100700343

Molecular Formulas

Molecular Formula

  • C15-H17-I3-N-O5.Na

Molecular Formula Fragments

  • C15-H17-I3-N-O5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C15H18I3NO5.Na/c1-4-11(15(21)22)23-5-6-24-14-10(17)7-9(16)13(12(14)18)19(3)8(2)20;/h7,11H,4-6H2,1-3H3,(H,21,22);/q;+1/p-1

InChIKey

HRGSQVMJHXGLGV-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 340mg/kg (340mg/kg)   Farmaco, Edizione Scientifica. Vol. 31, Pg. 349, 1976.
mouse LD50 oral 1850mg/kg (1850mg/kg)   Farmaco, Edizione Scientifica. Vol. 31, Pg. 349, 1976.