Account Org 9616
- Catalog No. :
- ACNFQA520
- CAS No. :
- 119302-18-0
- Molecular Formula :
- C36H61BrN2O4
- Molecular Weight :
- 665.80
IUPAC Name:1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17S)-3-acetoxy-17-(butyryloxy)-10,13-dimethyl-2-(piperidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-methylpiperidin-1-ium bromide
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Product Information
| Product Name | Org 9616 |
|---|---|
| IUPAC Name | 1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17S)-3-acetoxy-17-(butyryloxy)-10,13-dimethyl-2-(piperidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-methylpiperidin-1-ium bromide |
| Molecular Formula | C36H61BrN2O4 |
| Molecular Weight | 665.80 |
| SMILES | C[N+]1([C@H]2C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@H](OC(C)=O)[C@@H](N6CCCCC6)C[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@H]2OC(CCC)=O)CCCCC1.[Br-] |
| InChI Key | ZFJFKPJKLLLVSR-HELRLQSOSA-M |
| Synonym | Org 9616 |
| CAS No. | 119302-18-0 |
Synthetic Route by SureRoute
2. ACNFQA520 Molecular Building Block Synthetic Route
1,1'-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3,17-Diacetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-2,16-diyl)bis(1-methylpiperidin-1-ium) bromide
1-((2S,3S,5S,10S,13S,16S,17R)-3,17-Diacetoxy-10,13-dimethyl-2-(piperidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-methylpiperidin-1-ium bromide
1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-acetoxy-17-hydroxy-10,13-dimethyl-2-(piperidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)-1-methylpiperidin-1-ium bromide