Thebainone, acetate
(4-methoxy-12,17-dimethyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-yl) acetate
Also Known As: Thebainone, acetate|m-Toluidino-malonsaeure-diaethylester|3-Methoxy-7,17-dimethyl-6-oxomorphinan-4-yl acetate
CAS: 17033-76-0
| Molecular Formula | C21H27NO4 |
|---|---|
| Molecular Weight | 357.194 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.194 |
| Monoisotopic Mass | 357.194 |
| Heavy Atoms | 26 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 17033-76-0 |
|---|---|
| SMILES | CC1CC2C3CC4=C(C2(CCN3C)CC1=O)C(=C(C=C4)OC)OC(=O)C |
| InChIKey | RUPSRYMGSKHVGC-UHFFFAOYSA-N |
Product Overview
Thebainone, acetate (CAS 17033-76-0), with molecular formula C21H27NO4 and molecular weight 357.194 g/mol. IUPAC: (4-methoxy-12,17-dimethyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-yl) acetate.
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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