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Substance Name: Benzoic acid, 3,3'-(ethylenebis(oxyethylenecarbonylimino))bis(5-(butyramidomethyl)-2,4,6-triiodo-
RN: 51251-60-6
InChIKey: KJIZXRRWFGKGRI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H36-I6-N4-O10

Molecular Weight

  • 1398.05
 
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Names and Synonyms

Synonym

  • BRN 2800876

Systematic Name

  • Benzoic acid, 3,3'-(ethylenebis(oxyethylenecarbonylimino))bis(5-(butyramidomethyl)-2,4,6-triiodo-

Registry Numbers

CAS Registry Number

  • 51251-60-6

System Generated Number

  • 0051251606

Structure Descriptors

InChI

1S/C32H36I6N4O10/c1-3-5-17(43)39-13-15-23(33)21(31(47)48)27(37)29(25(15)35)41-19(45)7-9-51-11-12-52-10-8-20(46)42-30-26(36)16(14-40-18(44)6-4-2)24(34)22(28(30)38)32(49)50/h3-14H2,1-2H3,(H,39,43)(H,40,44)(H,41,45)(H,42,46)(H,47,48)(H,49,50)

InChIKey

KJIZXRRWFGKGRI-UHFFFAOYSA-N

Smiles

c1(c(c(c(I)c(c1I)C(O)=O)NC(CCOCCOCCC(Nc1c(c(c(I)c(c1I)C(O)=O)CNC(CCC)=O)I)=O)=O)I)CNC(CCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 8gm/kg (8000mg/kg)   Farmaco, Edizione Scientifica. Vol. 28, Pg. 912, 1973.