Oripavine
Representations & DB's id
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| ChEBI: | CHEBI:7782 | |
|---|---|---|
| ChEMBL: | CHEMBL437602 | |
| PubChem: | 5462306 | |
| IUPAC: | (4R,7aR,12bS)-7-methoxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-ol | |
| Standard InChI: | InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3/t12-,17+,18+/m1/s1 | |
| Standard InChI Key: | ZKLXUUYLEHCAMF-UUWFMWQGSA-N | |
| SMILES: | COC1=CC=C2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O | |
Molecular propeties
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| AlogP: | 2.12 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 5 | |
| Molecular Weight: | 297.14 | |
| Topological polar surface area: | 41.9 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.444 | |
| Number of carbons: | 18 | |