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198637-52-4

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198637-52-4 Structure

198637-52-4 Structure
IdentificationBack Directory
[Name]

Gadolinium, [10-[2-(hydroxy-kO)-3-hydroxy-1-(hydroxymethyl)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-kN1,kN4,kN7,kN10,kO1,kO4,kO7]-,monohydrate,[SA-8-1425362'5'-(R*,S*)]- (9CI)
[CAS]

198637-52-4
[Synonyms]

Gd-DO3A-butrol
Gadobutrol Monohydrate
Gadobutrol monohydrate CRS
Gadobutrol for peak identification CRS
Gadolinium(III) 2,2',2''-[10-(1,3,4-Trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetate
Gadolinium(III) 2,2',2''-[10-(1,3,4-Trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetate Monohydrate
Gadolinium, [10-[2-(hydroxy-kO)-3-hydroxy-1-(hydroxymethyl)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-kN1,kN4,kN7,kN10,kO1,kO4,kO7]-,monohydrate,[SA-8-1425362'5'-(R*,S*)]- (9CI)
[Molecular Formula]

C18H32GdN4O10
[MOL File]

198637-52-4.mol
[Molecular Weight]

621.72
Chemical PropertiesBack Directory
[storage temp. ]

2-8°C
[Water Solubility ]

Completely soluble in water
[form ]

powder to crystal
[color ]

White to Almost white
[InChIKey]

NNBRHYPVMQAQDY-FCFATPNKNA-K
[SMILES]

C([C@@H]1[C@H](O[Gd+3]234567[O-]C(=O)CN82CCN3(CC(=O)[O-]4)CCN15CCN6(CC(=O)[O-]7)CC8)CO)O.O |&1:1,2,r|
[CAS DataBase Reference]

198637-52-4
Safety DataBack Directory
[HS Code ]

2805.30.0090
Hazard InformationBack Directory
[Uses]

Gadobutrol Monohydrate is used in preparation of Gadobutrol.Gadobutrol is a gadolinium-based MRI contrast agent (GBCA).
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