Account 2,2',2''-(10-((2S,3R)-1,3,4-Trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
- Catalog No. :
- ACSTIO859
- CAS No. :
- 2349341-85-9
- Molecular Formula :
- C18H34N4O9
- Molecular Weight :
- 450.49
IUPAC Name:2,2',2''-(10-((2S,3R)-1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
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Product Information
| Product Name | 2,2',2''-(10-((2S,3R)-1,3,4-Trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid |
|---|---|
| IUPAC Name | 2,2',2''-(10-((2S,3R)-1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid |
| Molecular Formula | C18H34N4O9 |
| Molecular Weight | 450.49 |
| SMILES | O=C(O)CN1CCN(CC(=O)O)CCN([C@@H](CO)[C@@H](O)CO)CCN(CC(=O)O)CC1 |
| InChI Key | JZNZSKXIEDHOBD-GJZGRUSLSA-N |
| Synonym | Calcobutrol Impurity 1;Gadobutrol Impurity N3 |
| CAS No. | 2349341-85-9 |
Synthetic Route by SureRoute
2. ACSTIO859 Molecular Building Block Synthetic Route
2,2',2''-(10-(1,3,4-Trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
rel-Calcium 2,2'-(7-(carboxymethyl)-10-((2R,3S)-1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4-diyl)diacetate
rel-2,2',2''-(10-((2R,3S)-1,3,4-Trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid