Chemical Compound

Gadobutrol Monohydrate

CAS Registry Number 198637-52-4
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Gadobutrol Monohydrate chemical structure
Primary Record

Gadobutrol Monohydrate

In stock
3,658 g
Purity
98.4 %
CAS
198637-52-4

Compound Identifiers & Properties

CAS
198637-52-4
PubChem CID
154723961
SMILES
C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])C(CO)C(CO)O)CC(=O)[O-].O.[Gd+3]
Canonical SMILES
O.O=C([O-])CN1CCN(CC(=O)[O-])CCN(C(CO)C(O)CO)CCN(CC(=O)[O-])CC1.[Gd+3]

Names & Synonyms

  • Gadobutrol Monohydrate
  • 198637-52-4
  • 2-[4,10-bis(carboxylatomethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+);hydrate
  • Gadolinium(III) 2,2',2''-[10-(1,3,4-Trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetate Monohydrate