chempirical

Iodixanol

C35H44I6N6O15CAS 92339-11-21550.19 g/mol

Open in Covalent MOL file
ONHONOIONHOHOHIOHNOHHOIIONHHOHOIONHOHOHI
AlcoholAmideAryl halide

Properties

Molecular formula
C35H44I6N6O15
Molar mass
1550.19 g/mol
Exact mass
1549.7133 Da
Density
1.32 g/mL
logP
0.71Crippen estimate
Polar surface area
353.1 Ų
H-bond donors / acceptors
13 / 15
Rotatable bonds
22

Identifiers

CAS number
92339-11-2
SMILES
CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(O)=NCC(O)CO)c(I)c(C(O)=NCC(O)CO)c1I)c1c(I)c(C(O)=NCC(O)CO)c(I)c(C(O)=NCC(O)CO)c1I
InChIKey
NBQNWMBBSKPBAY-UHFFFAOYSA-N
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)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names
  • 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
  • Visipaque
  • OptiPrep
  • Visipaque 270

Work with Iodixanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Iohexol66108-95-096 % similar Ioversol87771-40-261 % similar Iomeprol78649-41-961 % similar 5-Acetamido-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide31127-80-757 % similar 5-Amino-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide76801-93-955 % similar Iopromide73334-07-348 % similar Metrizamide31112-62-638 % similar 1-(3-Hydroxy-1-azetidinyl)ethanone118972-96-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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