Di-sec-butylphosphostigmine
[3-di(butan-2-yloxy)phosphoryloxyphenyl]-trimethylazanium;methyl sulfate
| Molecular Formula | C18H34NO8PS |
|---|---|
| Molecular Weight | 455.5 g/mol |
| Topological Polar Surface Area | 120.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 455.1743 |
| Heavy Atoms | 29 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 77967-13-6 |
|---|---|
| SMILES | CCC(C)OP(=O)(OC1=CC=CC(=C1)[N+](C)(C)C)OC(C)CC.COS(=O)(=O)[O-] |
| InChIKey | PRCOBLDZUHJLFC-UHFFFAOYSA-M |
📖 Product Overview
Di-sec-butylphosphostigmine (CAS: 77967-13-6) is a chemical compound with molecular formula C18H34NO8PS and molecular weight 455.5 g/mol. Its IUPAC systematic name is [3-di(butan-2-yloxy)phosphoryloxyphenyl]-trimethylazanium;methyl sulfate.
PRCOBLDZUHJLFC-UHFFFAOYSA-M.
SMILES: CCC(C)OP(=O)(OC1=CC=CC(=C1)[N+](C)(C)C)OC(C)CC.COS(=O)(=O)[O-].
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