Metrizoate

CAS Registry Number®

1949-45-7

CAS Name

Metrizoate

Molecular Formula

C12H11I3N2O4

Molecular Mass

627.94

Cite this Page

Metrizoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1949-45-7 (retrieved 2024-11-21) (CAS RN: 1949-45-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    281.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C12H11I3N2O4/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=GGGDNPWHMNJRFN-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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-
  • Benzoic acid, 3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)-
  • 3-(Acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoic acid
  • 3,5-Diacetamido-N-methyl-2,4,6-triiodobenzoic acid
  • Metrizoic acid

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration