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Substance Name: Benzoic acid, 3-acetamido-5-butyramido-2,4,6-triiodo-
RN: 19719-03-0
InChIKey: IPNDNFJSENPAHV-UHFFFAOYSA-N

Molecular Formula

  • C13-H13-I3-N2-O4

Molecular Weight

  • 641.956
 
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Names and Synonyms

Synonyms

  • 3-Acetamido-5-butyramido-2,4,6-triiodobenzoic acid
  • 4-14-00-01309 (Beilstein Handbook Reference)
  • BRN 3007406

Systematic Name

  • Benzoic acid, 3-acetamido-5-butyramido-2,4,6-triiodo-

Registry Numbers

CAS Registry Number

  • 19719-03-0

System Generated Number

  • 0019719030

Structure Descriptors

InChI

1S/C13H13I3N2O4/c1-3-4-6(20)18-12-9(15)7(13(21)22)8(14)11(10(12)16)17-5(2)19/h3-4H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)

InChIKey

IPNDNFJSENPAHV-UHFFFAOYSA-N

Smiles

c1(c(c(c(I)c(c1I)C(O)=O)NC(C)=O)I)NC(CCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 8700mg/kg (8700mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 394, 1956.