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Tetra-O-acetyl Iopromide-[d3]

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General Information
Catalog: BLP-004613
CAS: 1246818-05-2
Molecular Formula: C26H29D3I3N3O12
Molecular Weight: 962.28

Chemical Structure

Description	Isotopic labelled Tetra-O-acetyl Iopromide is the protected form of Iopromide.
Synonyms	N1,N3-Bis[2,3-bis(acetyloxy)propyl]-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-N1-methyl-1,3-benzenedicarboxamide-d3; N,N'-Bis(2,3-Dihydroxypropyl)-2,4,6-triiodo-5-[(methoxyacetyl)amino]-N-methyl-1,3-benzenedicarboxamide-d3 Tetraacetate
IUPAC Name	[2-acetyloxy-3-[[3-[2,3-diacetyloxypropyl(methyl)carbamoyl]-2,4,6-triiodo-5-[[2-(trideuteriomethoxy)acetyl]amino]benzoyl]amino]propyl] acetate
Related CAS	1246820-70-1 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])OCC(=O)NC1=C(C(=C(C(=C1I)C(=O)N(C)CC(COC(=O)C)OC(=O)C)I)C(=O)NCC(COC(=O)C)OC(=O)C)I
Canonical SMILES	CC(=O)OCC(CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)COC)I)C(=O)N(C)CC(COC(=O)C)OC(=O)C)I)OC(=O)C
InChI	InChI=1S/C26H32I3N3O12/c1-12(33)41-9-16(43-14(3)35)7-30-25(38)19-21(27)20(23(29)24(22(19)28)31-18(37)11-40-6)26(39)32(5)8-17(44-15(4)36)10-42-13(2)34/h16-17H,7-11H2,1-6H3,(H,30,38)(H,31,37)/i6D3
InChI Key	VJZHCBDXXCGMJR-UNLAWSRZSA-N
Melting Point	70-73°C
Purity	>98%
Solubility	Soluble in Chloroform, Methanol
Appearance	Off-white Solid