60166-98-5

Name IOPAMIDOL RELATED COMPOUND A (50 MG) (N,N'-BIS-(1,3-DIHYDROXY-2-PROPYL)-5-AMINO-2,4,6-TRIIO-DOISO-PHTHALAMIDE)
CAS 60166-98-5
Molecular Formula C14H18I3N3O6
MDL Number MFCD25977183
Molecular Weight 705.02
MOL File 60166-98-5.mol

Chemical Properties

Melting point  >260°C (dec.)
Boiling point  688.7±55.0 °C(Predicted)
density  2.386±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO (Sparingly)
form  neat
pka 10.98±0.46(Predicted)
color  White to Off-White
Major Application pharmaceutical (small molecule)
InChI InChI=1S/C14H18I3N3O6/c15-9-7(13(25)19-5(1-21)2-22)10(16)12(18)11(17)8(9)14(26)20-6(3-23)4-24/h5-6,21-24H,1-4,18H2,(H,19,25)(H,20,26)
InChIKey FVLWRKHQMFPOQE-UHFFFAOYSA-N
SMILES C1(C(NC(CO)CO)=O)=C(I)C(N)=C(I)C(C(NC(CO)CO)=O)=C1I

Safety Data

WGK Germany  WGK 3
HS Code  2924296000
Storage Class 11 - Combustible Solids

Hazard Information

Supplier