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Substance Name: Butyric acid, 2-((3-(3-acetamido-2,4,6-triiodophenoxy)propoxy)methyl)-, sodium salt
RN: 100700-25-2
InChIKey: JBRKPFUDUBILAF-UHFFFAOYSA-M

Molecular Formula

  • C16-H19-I3-N-O5.Na

Molecular Weight

  • 709.018
 
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Names and Synonyms

Synonym

  • 2-((3-(3-Acetamido-2,4,6-triiodophenoxy)propoxy)methyl)butyric acid sodium salt

Systematic Name

  • Butyric acid, 2-((3-(3-acetamido-2,4,6-triiodophenoxy)propoxy)methyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 100700-25-2

System Generated Number

  • 0100700252

Molecular Formulas

Molecular Formula

  • C16-H19-I3-N-O5.Na

Molecular Formula Fragments

  • C16-H19-I3-N-O5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H20I3NO5.Na/c1-3-10(16(22)23)8-24-5-4-6-25-15-12(18)7-11(17)14(13(15)19)20-9(2)21;/h7,10H,3-6,8H2,1-2H3,(H,20,21)(H,22,23);/q;+1/p-1

InChIKey

JBRKPFUDUBILAF-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 750mg/kg (750mg/kg)   Farmaco, Edizione Scientifica. Vol. 31, Pg. 349, 1976.
mouse LD50 oral 3700mg/kg (3700mg/kg)   Farmaco, Edizione Scientifica. Vol. 31, Pg. 349, 1976.