1S,9R-beta-HYDRASTINE
From DrugPedia: A Wikipedia for Drug discovery
| 1S,9R-beta-HYDRASTINE
| |
| Systematic (IUPAC) name | |
| (3R)-6,7-dimethoxy-3-[(1S)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]-3H-2-benzofuran-1-one | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C20H21NO4 |
| Mol. mass | 339.38504 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
[edit] Description
[edit] General Properties
*Molecular Weight
339.38504
*Molecular Formula
C20H21NO4
*IUPAC NAME
(3R)-6,7-dimethoxy-3-[(1S)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]-3H-2-benzofuran-1-one
*Canonical Smiles
CN1CCC2=CC=CC=C2C1C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3
*Isomeric Smiles
CN1CCC2=CC=CC=C2[C@H]1[C@H]3C4=C(C(=C(C=C4)OC)OC)C(=O)O3
*XLogP
2.8
*Topological Polar Surface Area
48
