Oragrafin

CAS Registry Number®

5587-89-3
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CAS Name

Oragrafin

Molecular Formula

C12H13I3N2O2

Molecular Mass

597.96

Cite this Page

Oragrafin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=5587-89-3 (retrieved 2024-04-24) (CAS RN: 5587-89-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    168-169 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C12H13I3N2O2/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19/h5-6H,3-4H2,1-2H3,(H,18,19)

InChIKey

InChIKey=YQNFBOJPTAXAKV-UHFFFAOYSA-N

SMILES

C(CC(O)=O)C1=C(I)C(N=CN(C)C)=C(I)C=C1I

Canonical SMILES

O=C(O)CCC=1C(I)=CC(I)=C(N=CN(C)C)C1I

Other Names for this Substance

  • Benzenepropanoic acid, 3-[[(dimethylamino)methylene]amino]-2,4,6-triiodo-
  • Hydrocinnamic acid, 3-[[(dimethylamino)methylene]amino]-2,4,6-triiodo-
  • 3-[[(Dimethylamino)methylene]amino]-2,4,6-triiodobenzenepropanoic acid
  • Bilopten
  • 3-[3-[[(Dimethylamino)methylene]amino]-2,4,6-triiodophenyl]propionic acid

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