BIAdb Benzyloxy-2,3-dimethoxy berbine 1268
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Benzyloxy-2,3-dimethoxy berbine 1268
| |
| Systematic (IUPAC) name | |
| 2,3-dimethoxy-11-(phenylmethoxy)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C26H27NO3 |
| Mol. mass | 401.49748 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
401.49748
*Exact Mass
401.199094
*Molecular Formula
C26H27NO3
*IUPAC NAME
2,3-dimethoxy-11-(phenylmethoxy)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
*Canonical Smiles
COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C=CC(=C4)OCC5=CC=CC=C5)OC
*Isomeric Smiles
N/A
*XLogP
4.8
*Hydrogen bond donor
0
*Hydrogen bond acceptor
4
*Rotational Bond Count
5
*Topological Polar Surface Area
30.9
