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198637-59-1

198637-59-1 Structure

198637-59-1 Structure
IdentificationBack Directory
[Name]

7-[(5R,6S)-6-Hydroxy-2,2-diMethyl-1,3-dioxepan-5-yl]-1,4,7,10-tetraazacyclododecane-1-carboxaldehyde
[CAS]

198637-59-1
[Synonyms]

DGWLGINONHYRMS-HUUCEWRRSA-N
Gadolinium Butanol Impurity 9
7-[(5R,6S)-6-Hydroxy-2,2-diMethyl-1,3-dioxepan-5-yl]-1,4,7,10-tetraazacyclododecane-1-carboxaldehyde
1,4,7,10-Tetraazacyclododecane-1-carboxaldehyde, 7-[(5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl]-, rel-
[Molecular Formula]

C16H32N4O4
[MOL File]

198637-59-1.mol
[Molecular Weight]

344.45
Chemical PropertiesBack Directory
[Melting point ]

>67oC (dec.)
[Boiling point ]

544.7±50.0 °C(Predicted)
[density ]

1.114±0.06 g/cm3(Predicted)
[solubility ]

Methanol (Slightly), Water (Slightly)
[form ]

Solid
[pka]

14.03±0.60(Predicted)
[color ]

Brown
Hazard InformationBack Directory
[Uses]

7-[(5R,6S)-6-Hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl]-1,4,7,10-tetraazacyclododecane-1-carboxaldehyde is an intermediate in the synthesis of Calcobutrol (C145700), a new macrocyclic polyhydroxylated gadolinium chelate derivative which can be used as a contrast agent for Magnetic Resonance Imaging (MRI).
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