Account (1S,2S,4S,5R)-1-(3,5-Di-tert-butylbenzyl)-2-((S)-(3-((S)-2-hydroxy-1-phenylethyl)ureido)(6-methoxyquinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide
- Catalog No. :
- ACBFQC275
- CAS No. :
- 2095003-15-7
- Molecular Formula :
- C44H57BrN4O3
- Molecular Weight :
- 769.87
IUPAC Name:(1S,2S,4S,5R)-1-(3,5-di-tert-butylbenzyl)-2-((S)-(3-((S)-2-hydroxy-1-phenylethyl)ureido)(6-methoxyquinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide
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Product Information
| Product Name | (1S,2S,4S,5R)-1-(3,5-Di-tert-butylbenzyl)-2-((S)-(3-((S)-2-hydroxy-1-phenylethyl)ureido)(6-methoxyquinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide |
|---|---|
| IUPAC Name | (1S,2S,4S,5R)-1-(3,5-di-tert-butylbenzyl)-2-((S)-(3-((S)-2-hydroxy-1-phenylethyl)ureido)(6-methoxyquinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide |
| Molecular Formula | C44H57BrN4O3 |
| Molecular Weight | 769.87 |
| SMILES | C=C[C@@H]1[C@](CC2)([H])C[C@@H]([C@@H](NC(N[C@@H](C3=CC=CC=C3)CO)=O)C4=CC=NC5=CC=C(OC)C=C45)[N@+]2(CC6=CC(C(C)(C)C)=CC(C(C)(C)C)=C6)C1.[Br-] |
| InChI Key | XKNUOFQGZNKAGM-CROOXGKCSA-N |
| Synonym | Cinchonanium, 1-[[3,5-bis(1,1-dimethylethyl)phenyl]methyl]-9-[[[[(1S)-2-hydroxy-1-phenylethyl]amino]carbonyl]amino]-6'-methoxy-, bromide (1:1), (8α,9S)-;(1S,2S,4S,5R)-1-(3,5-di-tert-butylbenzyl)-2-((S)-(3-((S)-2-hydroxy-1-phenylethyl)ureido)(6-methoxyquinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide |
| CAS No. | 2095003-15-7 |
Synthetic Route by SureRoute
2. ACBFQC275 Molecular Building Block Synthetic Route
1-((S)-2-Hydroxy-1-phenylethyl)-3-((S)-(6-methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)urea
(1S,2S,4S,5R)-2-((S)-((tert-Butoxycarbonyl)amino)(6-methoxyquinolin-4-yl)methyl)-1-(3,5-di-tert-butylbenzyl)-5-vinylquinuclidin-1-ium bromide
1-((R)-2-Hydroxy-1-phenylethyl)-3-((S)-quinolin-4-yl((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)urea