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Substance Name: Butanoic acid, 2-(((4-(((carboxymethyl)methylamino)carbonyl)-2,3,5,6-tetraiodobenzoyl)amino)methyl)-
RN: 29973-06-6
InChIKey: RMQZBBIQBHEMQV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-I4-N2-O6

Molecular Weight

  • 839.91
 
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Names and Synonyms

Synonyms

  • alpha-(4-(N-Methyl-N-carboxymethyl-carbamoyl)-2,3,5,6-tetrajod-benzoylamidomethyl)buttersaure
  • BRN 2192570

Systematic Name

  • Butanoic acid, 2-(((4-(((carboxymethyl)methylamino)carbonyl)-2,3,5,6-tetraiodobenzoyl)amino)methyl)-

Registry Numbers

CAS Registry Number

  • 29973-06-6

System Generated Number

  • 0029973066

Structure Descriptors

InChI

1S/C16H16I4N2O6/c1-3-6(16(27)28)4-21-14(25)8-10(17)12(19)9(13(20)11(8)18)15(26)22(2)5-7(23)24/h6H,3-5H2,1-2H3,(H,21,25)(H,23,24)(H,27,28)

InChIKey

RMQZBBIQBHEMQV-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 6900mg/kg (6900mg/kg)   Helvetica Chimica Acta. Vol. 54, Pg. 2097, 1971.