Bietasperine
methyl 3-[2-(diethylamino)ethyl]-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate
Also Known As: Bietaserpine|Bietasperine|DIETHYLAMINORESERPINE
CAS: 53-18-9
| Molecular Formula | C39H53N3O9 |
|---|---|
| Molecular Weight | 707.3782 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 707.3782 |
| Monoisotopic Mass | 707.3782 |
| Heavy Atoms | 51 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 53-18-9 |
|---|---|
| SMILES | CCN(CC)CCN1C2=C(C=CC(=C2)OC)C3=C1C4CC5C(CC(C(C5C(=O)OC)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC)CN4CC3 |
| InChIKey | WFTSRDISOMSAQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Analytical Reagents (2 patents)
Biotechnology (17 patents)
Heterocyclic Building Blocks (10 patents)
Pharmaceutical Intermediates (122 patents)
Polymer Intermediates (4 patents)
Product Overview
Bietasperine (CAS 53-18-9), with molecular formula C39H53N3O9 and molecular weight 707.3782 g/mol. IUPAC: methyl 3-[2-(diethylamino)ethyl]-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate.
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.
View MSDS →
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