Iohexol

CAS Registry Number®

66108-95-0

CAS Name

Iohexol

Molecular Formula

C19H26I3N3O9

Molecular Mass

821.14

Cite this Page

Iohexol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=66108-95-0 (retrieved 2024-11-25) (CAS RN: 66108-95-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    174-180 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)

InChIKey

InChIKey=NTHXOOBQLCIOLC-UHFFFAOYSA-N

SMILES

N(CC(CO)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)CO

Other Names for this Substance

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

View All

Deleted or Replaced CAS Registry Numbers

1445001-72-8

CAS INSIGHTSTM
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