(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

HCID 91044709

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

Related reactions

3 records

Compound notes

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