Allocryptopine
From DrugPedia: A Wikipedia for Drug discovery
| Allocryptopine
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H23NO5 |
| Mol. mass | 369.41102 |
| SMILES | & |
| Physical data | |
| Melt. point | 160.5 °C |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
Allocryptopine has been isolated from opium in approximatety 0.01 per cent yietd as the -form. The alkaloid has been identified by NMR and mass spectrometry and by comparison of its infrared spectrum with that of its allotropic modification, -allocryptopine.it induces muscle contraction and relaxation in urinary bladder and ileum, respectively.Crystals of α- and β-allocryptopine were studied by X-ray diffraction analysis and have been found to be crystal modifications of allocryptopine.
[edit] Synthesis
(S)-n-methylcanadine + NADPH + O2 = allocryptopine + NADP+ + H2O
[edit] General Properties
*Molecular Weight
369.41102
*Molecular Formula
C21H23NO5
*IUPAC NAME
N/A
*Canonical Smiles
CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3
*Isomeric Smiles
N/A
*XLogP
2.3
*Topological Polar Surface Area
57.2
IC50
37 ± 8 µM
[edit] Function
oxytocic agent
