Iobitridol

CAS Registry Number®

136949-58-1

CAS Name

Iobitridol

Molecular Formula

C20H28I3N3O9

Molecular Mass

835.16

Cite this Page

Iobitridol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=136949-58-1 (retrieved 2024-11-25) (CAS RN: 136949-58-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H28I3N3O9/c1-25(3-10(31)7-29)19(34)12-14(21)13(20(35)26(2)4-11(32)8-30)16(23)17(15(12)22)24-18(33)9(5-27)6-28/h9-11,27-32H,3-8H2,1-2H3,(H,24,33)

InChIKey

InChIKey=YLPBXIKWXNRACS-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 1,3-Benzenedicarboxamide, N1,N3-bis(2,3-dihydroxypropyl)-5-[[3-hydroxy-2-(hydroxymethyl)-1-oxopropyl]amino]-2,4,6-triiodo-N1,N3-dimethyl-
  • 1,3-Benzenedicarboxamide, N,N′-bis(2,3-dihydroxypropyl)-5-[[3-hydroxy-2-(hydroxymethyl)-1-oxopropyl]amino]-2,4,6-triiodo-N,N′-dimethyl-
  • N1,N3-Bis(2,3-dihydroxypropyl)-5-[[3-hydroxy-2-(hydroxymethyl)-1-oxopropyl]amino]-2,4,6-triiodo-N1,N3-dimethyl-1,3-benzenedicarboxamide
  • Iobitridol
  • Xenetix

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