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Substance Name: Butanoic acid, 2-(((3,5-bis(acetylethylamino)-2,4,6-triiodobenzoyl)amino)methyl)-
RN: 28920-89-0
InChIKey: PDTDFCGVQTWSSX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-I3-N3-O5

Molecular Weight

  • 769.141
 
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Names and Synonyms

Synonyms

  • 2-(((3,5-Bis(acetylethylamino)-2,4,6-triiodobenzoyl)amino)methyl)butanoic acid
  • alpha-Aethyl-beta-(3,5-bis(N-aethyl-acetylamino)-2,4,6-triiod-benzoyl-amino)-propionsaure
  • BRN 2405495

Systematic Name

  • Butanoic acid, 2-(((3,5-bis(acetylethylamino)-2,4,6-triiodobenzoyl)amino)methyl)-

Registry Numbers

CAS Registry Number

  • 28920-89-0

System Generated Number

  • 0028920890

Structure Descriptors

InChI

1S/C20H26I3N3O5/c1-6-12(20(30)31)9-24-19(29)13-14(21)17(25(7-2)10(4)27)16(23)18(15(13)22)26(8-3)11(5)28/h12H,6-9H2,1-5H3,(H,24,29)(H,30,31)

InChIKey

PDTDFCGVQTWSSX-UHFFFAOYSA-N

Smiles

C([C@@H](CC)CNC(c1c(c(c(c(c1I)N(CC)C(=O)C)I)N(CC)C(=O)C)I)=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 6gm/kg (6000mg/kg)   Helvetica Chimica Acta. Vol. 54, Pg. 2551, 1971.