112188-16-6

Name GADOTERIDOL RELATED COMPOUND B (50 MG) (1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETIC ACID, MONOGADOLINIUM SALT)
CAS 112188-16-6
Molecular Formula C14H22GdN4O6
MDL Number MFCD28976075
Molecular Weight 499.6
MOL File 112188-16-6.mol

Chemical Properties

Melting point  >300°C
storage temp.  Hygroscopic, Refrigerator, under inert atmosphere
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
color  White to Off-White
Stability: Hygroscopic
Major Application pharmaceutical (small molecule)
InChI InChI=1S/C14H25N4O6.Gd/c19-12(20)9-16-3-1-15-2-4-17(10-13(21)22)6-8-18(7-5-16)11-14(23)24;/h1-11H2,(H,19,20)(H,21,22)(H,23,24);/q-1;+4/p-3
InChIKey ADBHHYXJOIUPRL-UHFFFAOYSA-K
SMILES O=C1CN23CCN45CCN6CCN7(CC2)CC(=O)[O-][Gd+3]3476([O-]C(=O)C5)[O-]1

Safety Data

WGK Germany  WGK 3
HS Code  2942000000
Storage Class 11 - Combustible Solids

Hazard Information

Supplier