3-(Acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid

CAS Registry Number®

21656-26-8
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CAS Name

3-(Acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid

Molecular Formula

C12H11I3N2O4

Molecular Mass

627.94

Cite this Page

3-(Acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21656-26-8 (retrieved 2024-08-10) (CAS RN: 21656-26-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    280 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H11I3N2O4/c1-4(18)17(3)10-8(14)5(11(19)16-2)7(13)6(9(10)15)12(20)21/h1-3H3,(H,16,19)(H,20,21)

InChIKey

InChIKey=RSYPDFSNPVTGBJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C=1C(I)=C(C(=O)NC)C(I)=C(C1I)N(C(=O)C)C

Other Names for this Substance

  • Benzoic acid, 3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]-
  • Isophthalamic acid, 2,4,6-triiodo-N-methyl-5-(N-methylacetamido)-
  • 3-(Acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid
  • 2,4,6-Triiodo-3-(N-methylcarbamoyl)-5-(N-methylacetylamino)benzoic acid
  • 2,4,6-Triiodo-3,N-methylcarbamyl-5-(N-methylacetylamino)benzoic acid

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