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Substance Name: Butyric acid, 2-(p-(3-amino-2,4,6-triiodobenzamido)phenoxy)-
RN: 22708-40-3
InChIKey: NNKURSMSPVSFKE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H15-I3-N2-O4

Molecular Weight

  • 692.016
 
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Names and Synonyms

Synonyms

  • 2-(p-(3-Amino-2,4,6-triiodobenzamido)phenoxy)butyric acid
  • alpha-(4-(3-Amino-2,4,6-trijod-benzoylamino)-phenoxy)-buttersaure
  • alpha-(4-(3-Amino-2,4,6-trijod-benzoylamino)-phenoxy)-buttersaure [German]
  • BRN 2787037
  • Butanoic acid, 2-(4-((3-amino-2,4,6-triiodobenzoyl)amino)phenoxy)-

Systematic Name

  • Butyric acid, 2-(p-(3-amino-2,4,6-triiodobenzamido)phenoxy)-

Registry Numbers

CAS Registry Number

  • 22708-40-3

System Generated Number

  • 0022708403

Structure Descriptors

InChI

1S/C17H15I3N2O4/c1-2-12(17(24)25)26-9-5-3-8(4-6-9)22-16(23)13-10(18)7-11(19)15(21)14(13)20/h3-7,12H,2,21H2,1H3,(H,22,23)(H,24,25)

InChIKey

NNKURSMSPVSFKE-UHFFFAOYSA-N

Smiles

C([C@@H](CC)Oc1ccc(cc1)NC(c1c(c(c(cc1I)I)N)I)=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 158mg/kg (158mg/kg)   Helvetica Chimica Acta. Vol. 52, Pg. 1339, 1969.
mouse LD50 oral 4900mg/kg (4900mg/kg)   Helvetica Chimica Acta. Vol. 52, Pg. 1339, 1969.