78649-41-9

Name IOMEPROL
CAS 78649-41-9
EINECS(EC#) 1533716-785-6
Molecular Formula C17H22I3N3O8
MDL Number MFCD00867961
Molecular Weight 777.09
MOL File 78649-41-9.mol
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Chemical Properties

Melting point  263-265?C
Boiling point  813.2±65.0 °C(Predicted)
density  d420 1.166; d437 1.161; d420 1.334; d437 1.329; d420 1.446; d437 1.441
refractive index  nD20 1.3828; nD20 1.4327; nD20 1.4660
storage temp.  -20°C Freezer
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 11.36±0.46(Predicted)
color  White to Off-White
Usage Diagnostic aid (radiopaque medium)
InChI InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31)
InChIKey NJKDOADNQSYQEV-UHFFFAOYSA-N
SMILES C1(C(NCC(O)CO)=O)=C(I)C(N(C(CO)=O)C)=C(I)C(C(NCC(O)CO)=O)=C1I
CAS DataBase Reference 78649-41-9(CAS DataBase Reference)
EPA Substance Registry System 1,3-Benzenedicarboxamide, N1,N3-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)methylamino]-2,4,6-triiodo- (78649-41-9)

Safety Data

Toxicity
LD50 (400 mgI/ml soln) i.v. in mice, rats (gI/kg): 19.9, 14.5; LD50 (370 mgI/ml soln) i.v. in dogs (gI/kg): >12.5 (Morisetti)

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