BIAdb Berbine 1495
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Berbine 1495
| |
| Systematic (IUPAC) name | |
| (13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C17H17N |
| Mol. mass | 235.32358 |
| 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
235.32358
*Exact Mass
235.1361
*Molecular Formula
C17H17N
*IUPAC NAME
(13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
*Canonical Smiles
C1CN2CC3=CC=CC=C3CC2C4=CC=CC=C41
*Isomeric Smiles
C1CN2CC3=CC=CC=C3C[C@H]2C4=CC=CC=C41
*XLogP
3.4
*Hydrogen bond donor
0
*Hydrogen bond acceptor
1
*Rotational Bond Count
0
*Topological Polar Surface Area
3.2
