BIAdb NSC168212 2821
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2821 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2821 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb NSC168212 2821
| |
| Systematic (IUPAC) name | |
| 2-sulfoacetate;2,3,11-trimethoxy-8-methylisoquinolino[3,2-a]isoquinolin-7-ium | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C23H23NO8S |
| Mol. mass | 473.49562 |
| 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
473.49562
*Exact Mass
473.114437
*Molecular Formula
C23H23NO8S
*IUPAC NAME
2-sulfoacetate;2,3,11-trimethoxy-8-methylisoquinolino[3,2-a]isoquinolin-7-ium
*Canonical Smiles
CC1=C2C=CC(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)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
8
*Rotational Bond Count
4
*Topological Polar Surface Area
126
