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Gadobutrol

Gadobutrol / CAS : 770691-21-9

Appearance White to almost white solid UN -
HS 29420000 DG Class -
Synonyms Gadolinium, [rel-10-[(2R,3S)-2-(Hydroxy-κO)-3-Hydroxy-1-(Hydroxymethyl)Propyl]-1,4,7,10-Tetraazacyclododecane-1,4,7-Triacetato(3-)-κN1,κN4,κN7,κN10,κO1,κO4,κO7]-, (SA-8-1425362'5')-; Gadograf; (SA-8-1425362'5')-[rel-10-[(2R,3S)-2-(Hydroxy-κO)-3-Hydroxy-1-(Hydroxymethyl)Propyl]-1,4,7,10-Tetraazacyclododecane-1,4,7-Triacetato(3-)-κN1,κN4,κN7,κN10,κO1,κO4,κO7]Gadolinium; Gadolinium, [10-[2-(Hydroxy-κO)-3-Hydroxy-1-(Hydroxymethyl)Propyl]-1,4,7,10-Tetraazacyclododecane-1,4,7-Triacetato(3-)-κN1,κN4,κN7,κN10,κO1,κO4,κO7]-, [SA-8-1425362'5'-(R*,S*)]-; Protovist; Gadovist
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Properties

Summary

Formula
C18H31GdN4O9
Molecular Mass
603.70200
Exact Mass
604.12500
PSA
152.11000
Logp
-3.96640
IUPAC
2-[4,10-bis(carboxylatomethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)
SMILES
C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])[C@H](CO)[C@@H](CO)O)CC(=O)[O-].[Gd+3]

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Diagnostic Agents

Chemical and Physical Properties

Appearance
White to almost white solid

Export information

HS Code
29420000
Export Rebate
13%

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