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Substance Name: 1,3-Benzenedicarboxamide, 5-(acetyl(2-hydroxyethyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-N,N'-dimethyl-2,4,6-triiodo-
RN: 31122-82-4
InChIKey: FJOILPFCKCMXRY-UHFFFAOYSA-N

Molecular Formula

  • C20-H28-I3-N3-O8

Molecular Weight

  • 819.1542
 
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Names and Synonyms

  • 1,3-Benzenedicarboxamide, 5-(acetyl(2-hydroxyethyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-N,N'-dimethyl-2,4,6-triiodo-

Registry Numbers

CAS Registry Number

  • 31122-82-4

System Generated Number

  • 0031122824

Structure Descriptors

InChI

1S/C20H28I3N3O8/c1-10(30)26(4-5-27)18-16(22)13(19(33)24(2)6-11(31)8-28)15(21)14(17(18)23)20(34)25(3)7-12(32)9-29/h11-12,27-29,31-32H,4-9H2,1-3H3

InChIKey

FJOILPFCKCMXRY-UHFFFAOYSA-N

Smiles

CN(CC(O)CO)C(=O)c1c(I)c(N(CCO)C(=O)C)c(I)c(C(=O)N(C)CC(O)CO)c1I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 19365mg/kg (19365mg/kg)   Acta Pharmaceutica Suecica. Vol. 20, Pg. 219, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.28E+00 (none)   EXP
Water Solubility 24.2 mg/L 25 EST
Vapor Pressure 1.43E-27 mm Hg 25 EST
Henry's Law Constant 2.64E-27 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.89E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.