Account SC-435
- Catalog No. :
- ACMDWH472
- CAS No. :
- 289037-67-8
- Molecular Formula :
- C37H59N3O7S2
- Molecular Weight :
- 722.03
IUPAC Name:1-(4-(4-((4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydrobenzo[b]thiepin-5-yl)phenoxy)butyl)-1,4-diazabicyclo[2.2.2]octan-1-ium methanesulfonate
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Product Information
| Product Name | SC-435 |
|---|---|
| IUPAC Name | 1-(4-(4-((4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydrobenzo[b]thiepin-5-yl)phenoxy)butyl)-1,4-diazabicyclo[2.2.2]octan-1-ium methanesulfonate |
| Molecular Formula | C37H59N3O7S2 |
| Molecular Weight | 722.03 |
| SMILES | O=S1(CC(CCCC)([C@@H]([C@@H](C2=CC(N(C)C)=CC=C21)C3=CC=C(C=C3)OCCCC[N+]45CCN(CC5)CC4)O)CCCC)=O.CS(=O)([O-])=O |
| InChI Key | VRHOEJBXKXQDQB-SWIBWIMJSA-M |
| Synonym | 4-Aza-1-azoniabicyclo[2.2.2]octane, 1-[4-[4-[(4R,5R)-3,3-dibutyl-7-(dimethylamino)-2,3,4,5-tetrahydro-4-hydroxy-1,1-dioxido-1-benzothiepin-5-yl]phenoxy]butyl]-, methanesulfonate (1:1);SC-435;SC-435 mesylate;SC 435;SC435;SC 435 mesylate,SC435 mesylate |
| CAS No. | 289037-67-8 |
Synthetic Route by SureRoute
2. ACMDWH472 Molecular Building Block Synthetic Route
1-(4-((4-((4R,5R)-3,3-Dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydrobenzo[b]thiepin-5-yl)phenoxy)methyl)benzyl)-1,4-diazabicyclo[2.2.2]octan-1-ium chloride
1-(4-((4-((4R,5R)-3,3-Dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydrobenzo[b]thiepin-5-yl)phenoxy)methyl)benzyl)-1,4-diazabicyclo[2.2.2]octan-1-ium