Account Dacuronium
- Catalog No. :
- ACPSLB698
- CAS No. :
- 43021-45-0
- Molecular Formula :
- C33H58N2O3+2
- Molecular Weight :
- 530.84
IUPAC Name:1,1'-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-acetoxy-17-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-2,16-diyl)bis(1-methylpiperidin-1-ium)
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Product Information
| Product Name | Dacuronium |
|---|---|
| IUPAC Name | 1,1'-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-acetoxy-17-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-2,16-diyl)bis(1-methylpiperidin-1-ium) |
| Molecular Formula | C33H58N2O3+2 |
| Molecular Weight | 530.84 |
| SMILES | C[C@@]12[C@@H](O)[C@@H]([N+]3(C)CCCCC3)C[C@@]1([H])[C@]4([H])CC[C@@]5([H])C[C@H](OC(C)=O)[C@@H]([N+]6(C)CCCCC6)C[C@]5(C)[C@@]4([H])CC2 |
| InChI Key | XQFBAGUGBNQLRT-ZZZJANDJSA-N |
| Synonym | 1,1'-[(2β,16β)-3α-Acetoxy-17β-hydroxy-5α-androstane-2,16-diyl]bis(1-methylpiperidinium);1,1'-[3α-(Acetyloxy)-17β-hydroxy-5α-androstane-2β,16β-diyl]bis(1-methylpiperidinium);PancuroniuM BroMide Related CoMpound C;17-Hydroxypancuronium;XQFBAGUGBNQLRT-ZZZJANDJSA-N;piperidinium deriv;UNII-VD6L56ZVX1 |
| CAS No. | 43021-45-0 |
Synthetic Route by SureRoute
2. ACPSLB698 Molecular Building Block Synthetic Route
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
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