![7-[(5R,6S)-6-Hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl]-1,4,7,10-tetraazacyclododecane-1-carboxaldehyde](https://resource.bocsci.com/structure/198637-59-1.gif)
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| IUPAC Name: | 7-[(5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl]-1,4,7,10-tetrazacyclododecane-1-carbaldehyde |
| Description: | 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). |
| Molecular Weight: | 344.45 |
| Molecular Formula: | C16H32N4O4 |
| Canonical SMILES: | CC1(OCC(C(CO1)O)N2CCNCCN(CCNCC2)C=O)C |
| InChI: | InChI=1S/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-/m1/s1 |
| InChI Key: | DGWLGINONHYRMS-HUUCEWRRSA-N |
| Melting Point: | >67°C (dec.) |
| Solubility: | Methanol (Slightly), Water (Slightly) |
| Appearance: | Brown Solid |
| References: | Platzek, J. et al. Inorg. Chem., 36, 6086 (1997). |
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