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Ioxitalamic Acid-[d4]

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General Information
Catalog: BLP-007894
CAS: 1185156-82-4
Molecular Formula: C12H7D4I3N2O5
Molecular Weight: 647.96

Chemical Structure

Synonyms	Ioxitalamic Acid-d4; 3-(Acetylamino)-5-[[(2-hydroxyethyl-d4)amino]carbonyl]-2,4,6-triiodobenzoic Acid; 3-Acetamido-2,4,6-triiodo-(N-β-hydroxyethyl-d4)isophthalic Acid Monoamide; Ioxitalamate-d4
IUPAC Name	3-acetamido-2,4,6-triiodo-5-[(1,1,2,2-tetradeuterio-2-hydroxyethyl)carbamoyl]benzoic acid
Related CAS	28179-44-4 (unlabelled)
Canonical SMILES	CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCCO)I
InChI	InChI=1S/C12H11I3N2O5/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22)/i2D2,3D2
InChI Key	OLAOYPRJVHUHCF-RRVWJQJTSA-N
Melting Point	>245°C (dec.)
Purity	98%; ≥99% atom D
Solubility	Slightly soluble in DMSO (Heated), Methanol (Heated)
Appearance	White Solid
Storage	Store at -20°C