Chemical Compound

Gadobutrol

CAS Registry Number 770691-21-9
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Gadobutrol chemical structure
Primary Record

Gadobutrol

In stock
6,197 g
Purity
98.5 %
CAS
770691-21-9

Compound Identifiers & Properties

CAS
770691-21-9
PubChem CID
70678987
SMILES
C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])[C@@H](CO)[C@H](CO)O)CC(=O)[O-].[Gd+3]
Canonical SMILES
O=C([O-])CN1CCN(CC(=O)[O-])CCN([C@@H](CO)[C@@H](O)CO)CCN(CC(=O)[O-])CC1.[Gd+3]

Names & Synonyms

  • Gadobutrol
  • gadobutrolum
  • Gadavist
  • Gd-DO3A-butriol
  • Gadolinium-DO3A-butriol
  • CHEBI:68841
  • EBC-27377
  • DB06703
  • 770691-21-9
  • gadolinium(III) 2,2',2''-(10-((2R,3S )-1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
  • rac-[2,2',2''-{10-[(2S,3R)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetraazacyclododecane-1,4,7-triyl-kappa(4)N(1),N(4),N(7),N(10)}triacetato(3-)]gadolinium