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Substance Name: Isophthalamide, N,N'-bis(2-hydroxy-1-(hydroxymethyl)ethyl)-5-(N-(2-hydroxyethyl)acetamido)-2,4,6-triiodo-
RN: 88116-58-9
InChIKey: DEHWKTMXSOUIDZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H24-I3-N3-O8

Molecular Weight

  • 791.1006
 
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Names and Synonyms

  • Isophthalamide, N,N'-bis(2-hydroxy-1-(hydroxymethyl)ethyl)-5-(N-(2-hydroxyethyl)acetamido)-2,4,6-triiodo-

Registry Numbers

CAS Registry Number

  • 88116-58-9

System Generated Number

  • 0088116589

Structure Descriptors

InChI

1S/C18H24I3N3O8/c1-8(30)24(2-3-25)16-14(20)11(17(31)22-9(4-26)5-27)13(19)12(15(16)21)18(32)23-10(6-28)7-29/h9-10,25-29H,2-7H2,1H3,(H,22,31)(H,23,32)

InChIKey

DEHWKTMXSOUIDZ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 44gm/kg (44000mg/kg)   Acta Pharmaceutica Suecica. Vol. 20, Pg. 219, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.33E+00 (none)   EXP
Water Solubility 58 mg/L 25 EST
Vapor Pressure 3.67E-28 mm Hg 25 EST
Henry's Law Constant 2.36E-27 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.09E-11 cm3/molecule-sec 25 EST

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