BIAdb 2,3,10,11-tetrahydroxyberbine 1027
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1027 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1027 Link to BIAdb Database] | ||
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Current revision
| BIAdb 2,3,10,11-tetrahydroxyberbine 1027
| |
| Systematic (IUPAC) name | |
| 6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C17H17NO4 |
| Mol. mass | 299.32118 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Dopamine Agonist
[edit] General Properties
*Molecular Weight
299.32118
*Exact Mass
299.115758
*Molecular Formula
C17H17NO4
*IUPAC NAME
6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,3,10,11-tetrol
*Canonical Smiles
C1CN2CC3=CC(=C(C=C3CC2C4=CC(=C(C=C41)O)O)O)O
*Isomeric Smiles
N/A
*XLogP
1.9
*Hydrogen bond donor
4
*Hydrogen bond acceptor
5
*Rotational Bond Count
0
*Topological Polar Surface Area
84.2
