BIAdb Cis-N-methyl-alpha-berbine 1786
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1786 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1786 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Cis-N-methyl-alpha-berbine 1786
| |
| Systematic (IUPAC) name | |
| (7S,13aS)-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C18H20N+ |
| Mol. mass | 250.3581 |
| 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
250.3581
*Exact Mass
250.159575
*Molecular Formula
C18H20N+
*IUPAC NAME
(7S,13aS)-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium
*Canonical Smiles
C[N+]12CCC3=CC=CC=C3C1CC4=CC=CC=C4C2
*Isomeric Smiles
C[N@@+]12CCC3=CC=CC=C3[C@@H]1CC4=CC=CC=C4C2
*XLogP
3.4
*Hydrogen bond donor
0
*Hydrogen bond acceptor
0
*Rotational Bond Count
0
*Topological Polar Surface Area
0
