| Identification | Back 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 Properties | Back 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 | [InChI]
InChI=1/C16H32N4O4/c1-16(2)23-11-14(15(22)12-24-16)20-9-5-17-3-7-19(13-21)8-4-18-6-10-20/h13-15,17-18,22H,3-12H2,1-2H3/t14-,15-/s3 | [InChIKey]
DGWLGINONHYRMS-YQUYYLCKNA-N | [SMILES]
N1(C=O)CCNCCN([C@H]2[C@H](O)COC(C)(C)OC2)CCNCC1 |&1:9,10,r| |
| Hazard Information | Back 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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| Company Name: |
Energy Chemical
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| Tel: |
021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
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