Iodixanol

CAS Registry Number®

92339-11-2
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CAS Name

Iodixanol

Molecular Formula

C35H44I6N6O15

Molecular Mass

1550.18

Cite this Page

Iodixanol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=92339-11-2 (retrieved 2024-04-25) (CAS RN: 92339-11-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Density (1)

    1.32 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C35H44I6N6O15/c1-13(52)46(30-26(38)20(32(59)42-3-15(54)9-48)24(36)21(27(30)39)33(60)43-4-16(55)10-49)7-19(58)8-47(14(2)53)31-28(40)22(34(61)44-5-17(56)11-50)25(37)23(29(31)41)35(62)45-6-18(57)12-51/h15-19,48-51,54-58H,3-12H2,1-2H3,(H,42,59)(H,43,60)(H,44,61)(H,45,62)

InChIKey

InChIKey=NBQNWMBBSKPBAY-UHFFFAOYSA-N

SMILES

N(CC(CN(C(C)=O)C1=C(I)C(C(NCC(CO)O)=O)=C(I)C(C(NCC(CO)O)=O)=C1I)O)(C(C)=O)C2=C(I)C(C(NCC(CO)O)=O)=C(I)C(C(NCC(CO)O)=O)=C2I

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)CN(C(=O)C)C=2C(I)=C(C(=O)NCC(O)CO)C(I)=C(C(=O)NCC(O)CO)C2I

Other Names for this Substance

  • 1,3-Benzenedicarboxamide, 5,5′-[(2-hydroxy-1,3-propanediyl)bis(acetylimino)]bis[N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
  • 5,5′-[(2-Hydroxy-1,3-propanediyl)bis(acetylimino)]bis[N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
  • 2-5410-3A
  • Iodixanol
  • Visipaque

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