Isothebaine
From DrugPedia: A Wikipedia for Drug discovery
| Isothebaine
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C19H21NO3 |
| Mol. mass | 311.37494 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
[edit] Description
structure in first source
Isothebaine showed relaxant properties in the rat aorta. They relaxed the contractions induced by noradrenaline to a greater extent than those induced by KCl and they also inhibited the noradrenaline-induced contraction in calcium-free solution.
[edit] General Properties
*Molecular Weight
311.37494
*Molecular Formula
C19H21NO3
*IUPAC NAME
N/A
*Canonical Smiles
CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=CC=C4)OC)O)OC
*Isomeric Smiles
CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=CC=C4)OC)O)OC
*XLogP
2.9
*Topological Polar Surface Area
41.9
