Account Tri-tert-butyl 2,2',2''-(10-(2-((4-aminobutyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
- Catalog No. :
- ACIGBO924
- CAS No. :
- 1402393-59-2
- Molecular Formula :
- C32H62N6O7
- Molecular Weight :
- 642.88
IUPAC Name:tri-tert-butyl 2,2',2''-(10-(2-((4-aminobutyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
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Product Information
| Product Name | Tri-tert-butyl 2,2',2''-(10-(2-((4-aminobutyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate |
|---|---|
| IUPAC Name | tri-tert-butyl 2,2',2''-(10-(2-((4-aminobutyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate |
| Molecular Formula | C32H62N6O7 |
| Molecular Weight | 642.88 |
| SMILES | O=C(CN1CCN(CCN(CCN(CC1)CC(OC(C)(C)C)=O)CC(NCCCCN)=O)CC(OC(C)(C)C)=O)OC(C)(C)C |
| InChI Key | KXBDGFHJRVQRSK-UHFFFAOYSA-N |
| Synonym | 4-Aminobutyl-DOTA-tris(t-butyl ester);1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[2-[(4-aminobutyl)amino]-2-oxoethyl]-, 1,4,7-tris(1,1-dimethylethyl) ester;DOTA-(COOt-Bu)3-C4-NH2;Tri-tert-butyl 2,2',2''-(10-(2-((4-aminobutyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate;Aminobutyl-DOTA-tris(t-butyl ester);Gadobutrol Impurity 96;tert-butyl 2-(4-{[(4-aminobutyl)carbamoyl]methyl}-7,10-bis[2-(tert-butoxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl)acetate |
| CAS No. | 1402393-59-2 |
| PubChem CID | 132261346 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H315-H319
- Precautionary Statement(s)
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364
Synthetic Route by SureRoute
2. ACIGBO924 Molecular Building Block Synthetic Route
Tri-tert-butyl 2,2',2''-(10-(2-((2-aminoethyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
Tri-tert-butyl 2,2',2''-(10-(2-(but-3-yn-1-ylamino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
Di-tert-butyl 2,2'-(7-(2-(but-3-yn-1-ylamino)-2-oxoethyl)-1,4,7-triazonane-1,4-diyl)diacetate