BIAdb SDZ ISQ 844 3214
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=3214 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=3214 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb SDZ ISQ 844 3214
| |
| Systematic (IUPAC) name | |
| [(3S)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C20H23NO5 |
| Mol. mass | 357.40032 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Phosphodiesterase isoenzyme III/IV inhibitor
[edit] General Properties
*Molecular Weight
357.40032
*Exact Mass
357.157623
*Molecular Formula
C20H23NO5
*IUPAC NAME
[(3S)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol
*Canonical Smiles
COC1=CC(=CC(=C1)C2=NC(CC3=CC(=C(C=C32)OC)OC)CO)OC
*Isomeric Smiles
COC1=CC(=CC(=C1)C2=N[C@@H](CC3=CC(=C(C=C32)OC)OC)CO)OC
*XLogP
2.5
*Hydrogen bond donor
1
*Hydrogen bond acceptor
6
*Rotational Bond Count
6
*Topological Polar Surface Area
69.5
