120066-54-8

Name Gadoteridol
CAS 120066-54-8
EINECS(EC#) 1533716-785-6
Molecular Formula C17H29GdN4O7
MDL Number MFCD20037423
Molecular Weight 558.68
MOL File 120066-54-8.mol

Chemical Properties

Melting point  188-193 °C
storage temp.  Store at -20°C
solubility  PBS (pH 7.2): 10 mg/ml
form  A solid
color  White to off-white
Appearance dark green powder
Major Application pharmaceutical (small molecule)
InChI InChI=1S/C17H31N4O7.Gd/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26;/h14H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28);/q-1;+4/p-3
InChIKey JOJFJDKAWWEUPD-UHFFFAOYSA-K
SMILES CC1CN23CCN45CCN67CCN8(CC2)CC(=O)[O-][Gd+3]3486([O-]C(=O)C5)([O-]C(=O)C7)O1

Safety Data

Hazard Codes  Xn,T,N,Xi
Risk Statements 
Safety Statements 
WGK Germany  WGK 3
HS Code  2942000000
Storage Class 11 - Combustible Solids
Hazardous Substances Data 120066-54-8(Hazardous Substances Data)

Hazard Information

Supplier