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Substance Name: Isophthalamic acid, 5,5'-(hexamethylenebis(carbonylimino))bis(N-methyl-2,4,6-triiodo-
RN: 10397-76-9
InChIKey: YKUMCWOEENHSDD-UHFFFAOYSA-N

Molecular Formula

  • C26-H24-I6-N4-O8

Molecular Weight

  • 1281.9
 
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Names and Synonyms

Synonyms

  • 5,5'-(Hexamethylenebis(carbonylimino))bis(N-methyl-2,4,6-triiodoisophthalamic acid)
  • BRN 2800485

Systematic Name

  • Isophthalamic acid, 5,5'-(hexamethylenebis(carbonylimino))bis(N-methyl-2,4,6-triiodo-

Registry Numbers

CAS Registry Number

  • 10397-76-9

System Generated Number

  • 0010397769

Structure Descriptors

InChI

1S/C26H24I6N4O8/c1-33-23(39)11-15(27)13(25(41)42)19(31)21(17(11)29)35-9(37)7-5-3-4-6-8-10(38)36-22-18(30)12(24(40)34-2)16(28)14(20(22)32)26(43)44/h3-8H2,1-2H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)(H,41,42)(H,43,44)

InChIKey

YKUMCWOEENHSDD-UHFFFAOYSA-N

Smiles

c1(c(c(c(I)c(c1I)C(O)=O)C(NC)=O)I)NC(CCCCCCC(Nc1c(c(c(I)c(c1I)C(O)=O)C(NC)=O)I)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 19500mg/kg (19500mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 964, 1966.