Basic information
- CAS
864740-19-2- Standard SMILES
CCOc1cc2c(cc1OC)C(c1ccc(OC)nc1OC)=N[C@@H]1CC[C@@H](O)C[C@H]21- InChIKey
NQMAAFUKIUCXHK-MZMPZRCHSA-N- Molecular formula
- C23H28N2O5
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.199822
Names & identifiers
- Preferred name
- (2R,4aR,10bR)-6-(2,6-Dimethoxy-pyridin-3-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydro-phenanthridin-2-ol
- IUPAC
- (2R,4aR,10bR)-6-(2,6-dimethoxy-3-pyridinyl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
Names & synonyms
6C7UKU3FVASCHEMBL1411375NQMAAFUKIUCXHK-MZMPZRCHSA-N(2R,4aR,10bR)-6-(2,6-Dimethoxy-pyridin-3-yl)-9-eth oxy-8-methoxy-1,2,3,4,4a,10b-hexahydro-phenanthridin-2-ol(2R,4aR,10bR)-6-(2,6-Dimethoxy-pyridin-3-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a, 10b-hexahydro-phenanthridin-2-ol(2R,4aR,10bR)-6-(2,6-Dimethoxy-pyridin-3-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydro-phenanthridin-2-ol(2r,4ar,10br)-6-(2,6-dimethoxy-pyridin-3-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol2-Phenanthridinol, 6-(2,6-dimethoxy-3-pyridinyl)-9-ethoxy-1,2,3,4,4a,10b-hexahydro-8-methoxy-, (2R,4aR,10bR)-864740-19-2
Database identifiers
- CAS
864740-19-2- PubChem CID
- 11258441
- UNII
- 6C7UKU3FVA
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 602
Related reactions
18 records
Compound notes
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