CAS Registry Number®
66108-95-0
CAS Name
Iohexol
Molecular Formula
C19H26I3N3O9
Molecular Mass
821.14
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
- Nycodenz
- Omnipaque
- Omnipaque 240
- Omnipaque 140
- Omnipaque 350
- Omnipaque 300
- Omnipaque R
- Accudenz
- 5-(N-2,3-Dihydroxypropylacetamido)-2,4,6-triiodo-N,N′-bis(2,3-dihydroxypropyl)isophthalamide.
- Histodenz
- Accupaque 300
- Iopaque 240
- Iopaque 300
- Ioverin 350
Deleted or Replaced CAS Registry Numbers
1445001-72-8
