Brucine, hydrate
10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;sulfuric acid
Also Known As: Brucine sulfate|BRUCINE, HYDRATE|Brucine, sulfate (2:1)|Strychnidin-10-one,3-dimethoxy-, sulfate (2:1)|Strychnidin-10-one, 2,3-dimethoxy-, sulfate (2:1)
CAS: 4845-99-2
| Molecular Formula | C23H28N2O8S |
|---|---|
| Molecular Weight | 492.15665 g/mol |
| LogP | 1.4569 |
| Topological Polar Surface Area | 125.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 492.15665 |
| Monoisotopic Mass | 492.15665 |
| Heavy Atoms | 34 |
| Complexity | 1191.5957 |
Chemical Identifiers
| CAS Number | 4845-99-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC.OS(=O)(=O)O |
Product Overview
Brucine, hydrate (CAS 4845-99-2), with molecular formula C23H28N2O8S and molecular weight 492.15665 g/mol. IUPAC: 10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;sulfuric acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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