BIAdb NSC169687 2822
From DrugPedia: A Wikipedia for Drug discovery
(Difference between revisions)
m |
(→External Links) |
||
| (One intermediate revision not shown.) | |||
| Line 82: | Line 82: | ||
[http://crdd.osdd.net/raghava/biadb/detail.php?id=2822 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2822 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb NSC169687 2822
| |
| Systematic (IUPAC) name | |
| 10,11-dimethoxy-8-methylisoquinolino[3,2-a]isoquinolin-7-ium;2-sulfoacetate | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C22H21NO7S |
| Mol. mass | 443.46964 |
| 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
443.46964
*Exact Mass
443.103873
*Molecular Formula
C22H21NO7S
*IUPAC NAME
10,11-dimethoxy-8-methylisoquinolino[3,2-a]isoquinolin-7-ium;2-sulfoacetate
*Canonical Smiles
CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC=CC=C43)OC)OC.C(C(=O)[O-])S(=O)(=O)O
*Isomeric Smiles
N/A
*XLogP
N/A
*Hydrogen bond donor
1
*Hydrogen bond acceptor
7
*Rotational Bond Count
3
*Topological Polar Surface Area
117
