CAS Registry Number®
92339-11-2
CAS Name
Iodixanol
Molecular Formula
C35H44I6N6O15
Molecular Mass
1550.18
Compound Properties
-
Density (1)
1.32 g/cm³
Source(s)
- (1) Billington, David; Analytical Biochemistry, (2007), 367(1), 137-139, CAplus
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
- OptiPrep
- Visipaque 270
