Iothalamic acid

CAS Registry Number®

2276-90-6
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CAS Name

Iothalamic acid

Molecular Formula

C11H9I3N2O4

Molecular Mass

613.91

Cite this Page

Iothalamic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2276-90-6 (retrieved 2024-04-28) (CAS RN: 2276-90-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >300 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/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)

InChIKey

InChIKey=UXIGWFXRQKWHHA-UHFFFAOYSA-N

SMILES

C(NC)(=O)C1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I

Canonical SMILES

O=C(O)C1=C(I)C(NC(=O)C)=C(I)C(C(=O)NC)=C1I

Other Names for this Substance

  • Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]-
  • Isophthalamic acid, 5-acetamido-2,4,6-triiodo-N-methyl-
  • 3-(Acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid
  • MI 216
  • 5-Acetamido-2,4,6-triiodo-N-methylisophthalamic acid

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Deleted or Replaced CAS Registry Numbers

5551-54-2

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