Esermethole
(3aR,8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
Also Known As: Esermethole|(-)-Esermethole|Perindopril Impurity 13|CC12CCN(C)C2N(C)c3ccc(OC)cc13|(3aS,8aR)-5-methoxy-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole|(3aR,8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole|(3aR,8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo|(3aS)-1,2,3,3aalpha,8,8aalpha-Hexahydro-1,3a,8-trimethyl-5-methoxypyrrolo[2,3-b]indole|(3aS)-1,2,3,3aalpha,8,8aalpha-Hexahydro-5-methoxy-1,3a,8-trimethylpyrrolo[2,3-b]indole|(3aS)-1,3aalpha,8-Trimethyl-5-methoxy-1,2,3,3a,8,8aalpha-hexahydropyrrolo[2,3-b]indole|(3AS,8AR)-5-METHOXY-1,3A,8-TRIMETHYL-1H,2H,3H,3AH,8H,8AH-PYRROLO[2,3-B]INDOLE|1,3aalpha,8-Trimethyl-5-methoxy-1,2,3,3a,8,8aalpha-hexahydropyrrolo[2,3-b]indole|(3aS,8aR)-1,2,3,3a,8,8a-Hexahydro-5-methoxy-1,3a,8-trimethylpyrrolo[2,3-b]indole; (-)-Eseroline Methyl Ether; (-)-O-Methyleseroline; NSC 340070;
| Molecular Formula | C14H20N2O |
|---|---|
| Molecular Weight | 232.15756 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 15.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.15756 |
| Monoisotopic Mass | 232.15756 |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 65166-97-4 |
|---|---|
| SMILES | C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC)C)C |
| InChIKey | WKJDLYATGMSVOQ-KGLIPLIRSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Esermethole (CAS 65166-97-4), with molecular formula C14H20N2O and molecular weight 232.15756 g/mol. IUPAC: (3aR,8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.