Salutaridine
Representations & DB's id
| ||
| ChEBI: | CHEBI:17225 | |
|---|---|---|
| ChEMBL: | CHEMBL404097 | |
| PubChem: | 5408233 | |
| IUPAC: | (1S,9R)-3-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one | |
| Standard InChI: | InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3/t13-,19+/m1/s1 | |
| Standard InChI Key: | GVTRUVGBZQJVTF-YJYMSZOUSA-N | |
| SMILES: | COC1=C[C@@]23CCN([C@@H](C2=CC1=O)Cc1c3c(O)c(cc1)OC)C | |
Molecular propeties
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| AlogP: | 1.94 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 4 | |
| Molecular Weight: | 327.15 | |
| Topological polar surface area: | 59 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.421 | |
| Number of carbons: | 19 | |