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Substance Name: Isophthalamide, N,N'-bis(2-hydroxy-1-(hydroxymethyl)ethyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodo-
RN: 88116-59-0
InChIKey: AAMVKUKGQPPIMG-NEPJUHHUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H26-I3-N3-O9

Molecular Weight

  • 821.1264
 
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Names and Synonyms

  • Isophthalamide, N,N'-bis(2-hydroxy-1-(hydroxymethyl)ethyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodo-

Registry Numbers

CAS Registry Number

  • 88116-59-0

System Generated Number

  • 0088116590

Structure Descriptors

InChI

1S/C19H26I3N3O9/c1-8(30)24(3-11(32)6-28)17-14(20)13(19(34)23-10(4-26)5-27)15(21)18(16(17)22)25(9(2)31)12(33)7-29/h10-12,26-29,32-33H,3-7H2,1-2H3,(H,23,34)/t11-,12+/m1/s1

InChIKey

AAMVKUKGQPPIMG-NEPJUHHUSA-N

Smiles

CC(=O)N(C[C@H](CO)O)c1c(c(c(c(c1I)N([C@H](CO)O)C(=O)C)I)C(=O)NC(CO)CO)I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50gm/kg (50000mg/kg)   Acta Pharmaceutica Suecica. Vol. 20, Pg. 219, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.80E+00 (none)   EXP
Water Solubility 65.1 mg/L 25 EST
Vapor Pressure 6.11E-30 mm Hg 25 EST
Henry's Law Constant 1.04E-26 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.13E-11 cm3/molecule-sec 25 EST

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