77868-40-7

Name N-DesMethyl IoMeprol
CAS 77868-40-7
Molecular Formula C16H20I3N3O8
MDL Number MFCD31561945
Molecular Weight 763.059
MOL File 77868-40-7.mol
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Chemical Properties

Boiling point  784.1±60.0 °C(Predicted)
density  2.3670 (rough estimate)
refractive index  1.7550 (estimate)
storage temp.  Hygroscopic, Refrigerator, under inert atmosphere
solubility  Water
form  Solid
pka 10.57±0.70(Predicted)
color  White
Water Solubility  17.68g/L(25 ºC)
InChI InChI=1S/C16H20I3N3O8/c17-11-9(15(29)20-1-6(26)3-23)12(18)14(22-8(28)5-25)13(19)10(11)16(30)21-2-7(27)4-24/h6-7,23-27H,1-5H2,(H,20,29)(H,21,30)(H,22,28)
InChIKey ZPJJDGLVOWPGAN-UHFFFAOYSA-N
SMILES C1(C(NCC(O)CO)=O)=C(I)C(NC(CO)=O)=C(I)C(C(NCC(O)CO)=O)=C1I

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P280-P305+P351+P338

Hazard Information

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