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Substance Name: Benzoic acid, 3,3'-(ethylenebis(oxyethylenecarbonylimino))bis(5-(2-oxo-1-pyrrolidinylmethyl)-2,4,6-triiodo-
RN: 26090-54-0
InChIKey: KEPNWUOCHSRHGY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H32-I6-N4-O10

Molecular Weight

  • 1394.02
 
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Names and Synonyms

Synonyms

  • 5-21-06-00379 (Beilstein Handbook Reference)
  • BRN 1523603

Systematic Name

  • Benzoic acid, 3,3'-(ethylenebis(oxyethylenecarbonylimino))bis(5-(2-oxo-1-pyrrolidinylmethyl)-2,4,6-triiodo-

Registry Numbers

CAS Registry Number

  • 26090-54-0

System Generated Number

  • 0026090540

Structure Descriptors

InChI

1S/C32H32I6N4O10/c33-23-15(13-41-7-1-3-19(41)45)25(35)29(27(37)21(23)31(47)48)39-17(43)5-9-51-11-12-52-10-6-18(44)40-30-26(36)16(14-42-8-2-4-20(42)46)24(34)22(28(30)38)32(49)50/h1-14H2,(H,39,43)(H,40,44)(H,47,48)(H,49,50)

InChIKey

KEPNWUOCHSRHGY-UHFFFAOYSA-N

Smiles

c1(c(c(c(I)c(c1I)C(O)=O)NC(CCOCCOCCC(Nc1c(c(c(I)c(c1I)C(O)=O)CN1C(CCC1)=O)I)=O)=O)I)CN1C(CCC1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 10700mg/kg (10700mg/kg)   Farmaco, Edizione Scientifica. Vol. 28, Pg. 912, 1973.