ChemicalBook--->CAS DataBase List--->78649-41-9

78649-41-9

78649-41-9 Structure

78649-41-9 Structure
IdentificationMore
[Name]

IOMEPROL
[CAS]

78649-41-9
[Synonyms]

IOMEPROL
1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-5-[(hydroxyacetyl)methylamino]-2,4,6-triiodo-
Imeron
Iomeron 350
Iomeron
N,N'-bis(2,3-dihydroxypropyl)-5-[(hydroxyacetyl)methylamino]-2,4,6-triiodo-1,3-benzenedicarboxamide
N,N'-Bis(2,3-dihydroxypropyl)-5-[methyl(hydroxyacetyl)amino]-2,4,6-triiodoisophthalamide
[EINECS(EC#)]

1533716-785-6
[Molecular Formula]

C17H22I3N3O8
[MDL Number]

MFCD00867961
[Molecular Weight]

777.09
[MOL File]

78649-41-9.mol
Chemical PropertiesBack Directory
[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)
Hazard InformationBack Directory
[Hazard]

Low toxicity.
[Chemical Properties]

White Solid
[Uses]

Diagnostic aid (radiopaque medium)
[Uses]

Diagnostic aid (radiopaque medium).
[Definition]

ChEBI: A benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and a glycoloyl(methyl)amino group at the 5-position.
Safety DataBack Directory
[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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