Account (S)-(2R,3R,11bR)-3-Isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl 2-amino-3-methylbutanoate bis(4-methylbenzenesulfonate)
- Catalog No. :
- ACQVVE678
- CAS No. :
- 1639208-54-0
- Molecular Formula :
- C38H54N2O10S2
- Molecular Weight :
- 762.99
IUPAC Name:(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl L-valinate bis(4-methylbenzenesulfonate)
![(S)-(2R,3R,11bR)-3-Isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl 2-amino-3-methylbutanoate bis(4-methylbenzenesulfonate) structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (S)-(2R,3R,11bR)-3-Isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl 2-amino-3-methylbutanoate bis(4-methylbenzenesulfonate) |
|---|---|
| IUPAC Name | (2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl L-valinate bis(4-methylbenzenesulfonate) |
| Molecular Formula | C38H54N2O10S2 |
| Molecular Weight | 762.99 |
| SMILES | O=S(O)(C1=CC=C(C=C1)C)=O.CC(C)[C@H](N)C(O[C@@H]2C[C@]3([H])C4=CC(OC)=C(OC)C=C4CCN3C[C@H]2CC(C)C)=O.O=S(O)(C5=CC=C(C=C5)C)=O |
| InChI Key | BXGKAGLZHGYAMW-TZYFFPFWSA-N |
| Synonym | Valbenazine tosylate | Valbenazine ditosylate | 1639208-54-0 | NBI-98854 ditosylate | Valbenazine tosilate | 5SML1T733B | Valbenazine (tosylate) | UNII-5SML1T733B | Valbenazine tosylate [USAN] | 1639208-54-0 (tosylayte) | Valbenazine tosilate (JAN) | Valbenazine tosylate (USAN |
| CAS No. | 1639208-54-0 |
| PubChem CID | 92042922 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H301-H336-H373
- Precautionary Statement(s)
- P260-P261-P264-P270-P271-P301+P310-P304+P340-P312-P314-P321-P330-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACQVVE678 Molecular Building Block Synthetic Route
(2R,3R,11bR)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl L-valinate
3-(((2R,3R,11bR)-2-hydroxy-3-isobutyl-10-methoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-9-yl)oxy)propyl 4-methylbenzenesulfonate
3-(diethylcarbamoyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl acetate hydrochloride