Benzoic acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodo-, calcium salt (2:1)

CAS Registry Number®

20828-80-2

CAS Name

Benzoic acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodo-, calcium salt (2:1)

Molecular Formula

C12H11I3N2O4.1/2Ca

Cite this Page

Benzoic acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodo-, calcium salt (2:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20828-80-2 (retrieved 2024-11-22) (CAS RN: 20828-80-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=HZKBAEBVWHSFGK-UHFFFAOYSA-N

SMILES

N(C(C)=O)(C)C1=C(I)C(NC(C)=O)=C(I)C(C(O)=O)=C1I.[Ca]

Canonical SMILES

[Ca].O=C(O)C1=C(I)C(NC(=O)C)=C(I)C(=C1I)N(C(=O)C)C

Other Names for this Substance

  • Benzoic acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodo-, calcium salt (2:1)
  • Benzoic acid, 3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)-, calcium salt (2:1)
  • Calcium metrizoate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration