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Iohexol-[d5]

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General Information
Catalog: BLP-012695
CAS: 928623-33-0
Molecular Formula: C19H21D5I3N3O9
Molecular Weight: 826.17

Chemical Structure

Description	A deuterated Iohexol, which is used as an imaging agent.
Synonyms	Iohexol-d5
IUPAC Name	5-[acetyl-(1,1,2,3,3-pentadeuterio-2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamid
Related CAS	66108-95-0 (unlabelled)
Isomeric SMILES	[2H]C([2H])(C([2H])(C([2H])([2H])O)O)N(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C
Canonical SMILES	CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I
InChI	InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)/i4D2,7D2,11D
InChI Key	NTHXOOBQLCIOLC-OPCJXEHASA-N
Melting Point	>116°C (dec.)
Purity	> 95%
Solubility	Soluble in Methanol, Water
Appearance	White to Pale Yellow Solid
Storage	Store at -20°C, under inert atmosphere