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Substance Name: Isophthalamic acid, 5,5'-(1,4-phenylenebis(carbonylimino))bis(N-methyl-2,4,6-triiodo-
RN: 13013-78-0
InChIKey: DMBFAHBQOUZNMT-UHFFFAOYSA-N

Molecular Formula

  • C26-H16-I6-N4-O8

Molecular Weight

  • 1273.83
 
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Names and Synonyms

Synonyms

  • 5,5'-(1,4-Phenylenebis(carbonylimino))bis(N-methyl-2,4,6-triiodoisophthalamic acid)
  • BRN 2800390

Systematic Name

  • Isophthalamic acid, 5,5'-(1,4-phenylenebis(carbonylimino))bis(N-methyl-2,4,6-triiodo-

Registry Numbers

CAS Registry Number

  • 13013-78-0

System Generated Number

  • 0013013780

Structure Descriptors

InChI

1S/C26H16I6N4O8/c1-33-23(39)9-13(27)11(25(41)42)17(31)19(15(9)29)35-21(37)7-3-5-8(6-4-7)22(38)36-20-16(30)10(24(40)34-2)14(28)12(18(20)32)26(43)44/h3-6H,1-2H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)(H,41,42)(H,43,44)

InChIKey

DMBFAHBQOUZNMT-UHFFFAOYSA-N

Smiles

c1(c(c(c(I)c(c1I)C(O)=O)C(NC)=O)I)NC(c1ccc(C(Nc2c(c(c(I)c(c2I)C(O)=O)C(NC)=O)I)=O)cc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 10300mg/kg (10300mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 964, 1966.