Basic information
- Standard SMILES
CCOc1cc2c(cc1OC)C(c1ccc(OC)nc1OC)=N[C@@H]1CC[C@@H](OS(=O)(=O)CC)C[C@H]21- InChIKey
KDODSRGEWMIDLL-XFQXTVEOSA-N- Molecular formula
- C25H32N2O7S
- Average molar mass
- 504.6 g/mol
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 ethansulfonate
- IUPAC
- [(2R,4aR,10bR)-6-(2,6-dimethoxy-3-pyridinyl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-yl] ethanesulfonate
Names & synonyms
KDODSRGEWMIDLL-XFQXTVEOSA-N(2R,4aR,10bR)-6-(2,6-Dimethoxy-pyridin-3-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a, 10b-hexahydro-phenanthridin-2-ol ethansulfonate(2R,4aR,10bR)-6-(2,6-Dimethoxy-pyridin-3-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydro-phenanthridin-2-ol ethansulfonate
Database identifiers
- PubChem CID
- 91044709
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 832
Related reactions
3 records
Compound notes
Loading…