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Gadobutrol Monohydrate - >98.0%(T), high purity , CAS No.198637-52-4
Basic Description
Synonyms | Gadolinium(III) 2,2',2''-[10-(1,3,4-Trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetate Monohydrate |
Specifications & Purity | >98.0%(T) |
Storage Temp | Store at 2-8°C,Argon charged |
Shipped In | Wet ice |
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Names and Identifiers
IUPAC Name | 2-[4,10-bis(carboxylatomethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+);hydrate |
INCHI | InChI=1S/C18H34N4O9.Gd.H2O/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);;1H2/q;+3;/p-3 |
InChi Key | LAKUDJWFTFYTQQ-UHFFFAOYSA-K |
Canonical SMILES | C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])C(CO)C(CO)O)CC(=O)[O-].O.[Gd+3] |
PubChem CID | 154723961 |
Molecular Weight | 622.74 |
Reaxy-Rn | 15557943 |
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Chemical and Physical Properties
Solubility | Solubility in water: Completely soluble; Insoluble in Ethanol |
Sensitivity | Hygroscopic,Heat Sensitive |
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