Iopentol

CAS Registry Number®

89797-00-2
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CAS Name

Iopentol

Molecular Formula

C20H28I3N3O9

Molecular Mass

835.16

Cite this Page

Iopentol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=89797-00-2 (retrieved 2024-04-27) (CAS RN: 89797-00-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H28I3N3O9/c1-9(29)26(5-12(32)8-35-2)18-16(22)13(19(33)24-3-10(30)6-27)15(21)14(17(18)23)20(34)25-4-11(31)7-28/h10-12,27-28,30-32H,3-8H2,1-2H3,(H,24,33)(H,25,34)

InChIKey

InChIKey=IUNJANQVIJDFTQ-UHFFFAOYSA-N

SMILES

N(CC(COC)O)(C(C)=O)C1=C(I)C(C(NCC(CO)O)=O)=C(I)C(C(NCC(CO)O)=O)=C1I

Canonical SMILES

O=C(NCC(O)CO)C=1C(I)=C(C(=O)NCC(O)CO)C(I)=C(C1I)N(C(=O)C)CC(O)COC

Other Names for this Substance

  • 1,3-Benzenedicarboxamide, 5-[acetyl(2-hydroxy-3-methoxypropyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
  • 1,3-Benzenedicarboxamide, 5-[acetyl(2-hydroxy-3-methoxypropyl)amino]-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
  • 5-[Acetyl(2-hydroxy-3-methoxypropyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
  • Iopentol
  • Imagopaque

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