BIAdb Coralyne 1937
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1937 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1937 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Coralyne 1937
| |
| Systematic (IUPAC) name | |
| 2-hydroxy-2-oxoethanesulfonate;2,3,10,11-tetramethoxy-8-methylisoquinolino[3,2-a]isoquinolin-7-ium | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C24H25NO9S |
| Mol. mass | 503.5216 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
DNA Topoisomerse antagonist
[edit] General Properties
*Molecular Weight
503.5216
*Exact Mass
503.125002
*Molecular Formula
C24H25NO9S
*IUPAC NAME
2-hydroxy-2-oxoethanesulfonate;2,3,10,11-tetramethoxy-8-methylisoquinolino[3,2-a]isoquinolin-7-ium
*Canonical Smiles
CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.C(C(=O)O)S(=O)(=O)[O-]
*Isomeric Smiles
N/A
*XLogP
N/A
*Hydrogen bond donor
1
*Hydrogen bond acceptor
9
*Rotational Bond Count
5
*Topological Polar Surface Area
136
