BIAdb Papaveroline 2912
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2912 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2912 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Papaveroline 2912
| |
| Systematic (IUPAC) name | |
| 1-[(3,4-dihydroxyphenyl)methyl]isoquinolin-2-ium-6,7-diol bromide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C16H14BrNO4 |
| Mol. mass | 364.19066 |
| 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
364.19066
*Exact Mass
363.010621
*Molecular Formula
C16H14BrNO4
*IUPAC NAME
1-[(3,4-dihydroxyphenyl)methyl]isoquinolin-2-ium-6,7-diol bromide
*Canonical Smiles
C1=CC(=C(C=C1CC2=[NH+]C=CC3=CC(=C(C=C32)O)O)O)O.[Br-]
*Isomeric Smiles
N/A
*XLogP
N/A
*Hydrogen bond donor
5
*Hydrogen bond acceptor
5
*Rotational Bond Count
2
*Topological Polar Surface Area
95.1
