87771-40-2

Name Ioversol
CAS 87771-40-2
EINECS(EC#) 618-068-0
Molecular Formula C18H24I3N3O9
MDL Number MFCD00867959
Molecular Weight 807.11
MOL File 87771-40-2.mol
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Chemical Properties

Melting point  180-182°C
Boiling point  864.9±65.0 °C(Predicted)
density  d37 1.371 (c = 320 mgI/ml)
storage temp.  Refrigerator
solubility  DMSO (Sparingly), Methanol (Slightly)
form  Solid
pka 11.34±0.46(Predicted)
color  White to Off-White
Major Application pharmaceutical
InChI InChI=1S/C18H24I3N3O9/c19-13-11(17(32)22-3-8(29)5-26)14(20)16(24(1-2-25)10(31)7-28)15(21)12(13)18(33)23-4-9(30)6-27/h8-9,25-30H,1-7H2,(H,22,32)(H,23,33)
InChIKey AMDBBAQNWSUWGN-UHFFFAOYSA-N
SMILES C1(C(NCC(O)CO)=O)=C(I)C(N(C(CO)=O)CCO)=C(I)C(C(NCC(O)CO)=O)=C1I
CAS DataBase Reference 87771-40-2(CAS DataBase Reference)

Safety Data

WGK Germany  WGK 3
HS Code  2924296000
Storage Class 11 - Combustible Solids
Toxicity
LD50 in mice, rats, rabbits, dogs (gI/kg): 17, 15, >25, >12 i.v.; in male, female rats (mgI/kg): 1000, >1200 intracisternally (Ralston)

Hazard Information

Material Safety Data Sheet(MSDS)

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