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Substance Name: Butanoic acid, 2-((4-(4-morpholinylcarbonyl)-2,3,5,6-tetraiodobenzoyl)amino)-
RN: 29972-14-3
InChIKey: NKPZYNIUEJTNON-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-I4-N2-O5

Molecular Weight

  • 823.911
 
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Names and Synonyms

Synonyms

  • 2-((4-(4-Morpholinylcarbonyl)-2,3,5,6-tetraiodobenzoyl)amino)butanoic acid
  • 4-(4-(alpha-Carboxypropyl-carbamoyl)-2,3,5,6-tetrajod-benzoyl)-morpholin
  • 4-(4-(alpha-Carboxypropyl-carbamoyl)-2,3,5,6-tetrajod-benzoyl)-morpholin [German]
  • BRN 1232277

Systematic Name

  • Butanoic acid, 2-((4-(4-morpholinylcarbonyl)-2,3,5,6-tetraiodobenzoyl)amino)-

Registry Numbers

CAS Registry Number

  • 29972-14-3

System Generated Number

  • 0029972143

Structure Descriptors

InChI

1S/C16H16I4N2O5/c1-2-7(16(25)26)21-14(23)8-10(17)12(19)9(13(20)11(8)18)15(24)22-3-5-27-6-4-22/h7H,2-6H2,1H3,(H,21,23)(H,25,26)

InChIKey

NKPZYNIUEJTNON-UHFFFAOYSA-N

Smiles

C([C@@H](CC)NC(c1c(c(c(c(c1I)I)C(=O)N1CCOCC1)I)I)=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2200mg/kg (2200mg/kg)   Helvetica Chimica Acta. Vol. 54, Pg. 2097, 1971.
mouse LD50 oral > 4gm/kg (4000mg/kg)   Helvetica Chimica Acta. Vol. 54, Pg. 2097, 1971.