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Reference substances

Reference substances

IUPAC name:
3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid

Inventory

EC number:
218-897-4
EC name:
Iotalamic acid
CAS number:
2276-90-6
CAS number:
2276-90-6
Synonyms
Names:
Benzoic acid, 3-(acetylamino)-2,4,6-triiodo- 5-[(methylamino)carbonyl]-
3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid

Molecular and structural information

Molecular formula:
C11H9I3N2O4
Molecular weight:
613.914
SMILES notation:
CNC(=O)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I
InChl:
InChI=1/C11H9I3N2O4/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h1-2H3,(H,15,18)(H,16,17)(H,19,20)
Structural formula:
Chemical structure

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