Products 104517-95-5

CAS 104517-95-5 is the registry number for Iomeprol Impurity 3. Offered by: Chemat Brand. Available pack sizes: on request.

Iomeprol Impurity 3
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[2-(methylamino)-2-oxoethoxy]benzene-1,3-dicarboxamide (CAS 104517-95-5) is a chemical compound with the molecular formula C17H22I3N3O8 and a molecular weight of 777.1 g/mol. IUPAC name: 1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[2-(methylamino)-2-oxoethoxy]benzene-1,3-dicarboxamide. InChIKey: RZINTRRZGJKOOY-UHFFFAOYSA-N.

Identity
Molecular formulaC17H22I3N3O8
Molecular weight777.1 g/mol
IUPAC name1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[2-(methylamino)-2-oxoethoxy]benzene-1,3-dicarboxamide
InChIKeyRZINTRRZGJKOOY-UHFFFAOYSA-N
SMILESCNC(=O)COC1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I

Computed by PubChem (NCBI)

Isomers (same molecular formula)
1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide C17H22I3N3O8
1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-[[(2R)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide C17H22I3N3O8
1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzene-1,3-dicarboxamide C17H22I3N3O8
3-N-(1,3-dihydroxypropan-2-yl)-1-N-(2,3-dihydroxypropyl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide C17H22I3N3O8
3-N-(1,3-dihydroxypropan-2-yl)-1-N-(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-methylamino]-2,4,6-triiodobenzene-1,3-dicarboxamide C17H22I3N3O8
1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-methylamino]-2,4,6-triiodobenzene-1,3-dicarboxamide C17H22I3N3O8
1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide C17H22I3N3O8
1-N,3-N-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-(trideuteriomethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide C17H22I3N3O8
1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-2,4,6-triiodo-5-[[(2S)-3,3,3-trideuterio-2-hydroxypropanoyl]amino]benzene-1,3-dicarboxamide C17H22I3N3O8
5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodo-1-N,3-N-bis(1,1,3,3-tetradeuterio-1,3-dihydroxypropan-2-yl)benzene-1,3-dicarboxamide C17H22I3N3O8