BIAdb Narcein 2744
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2744 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2744 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Narcein 2744
| |
| Systematic (IUPAC) name | |
| 6-[2-[6-(2-dimethylaminoethyl)-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C23H27NO8 |
| Mol. mass | 445.46238 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Papaver rhopalothece
[edit] Function
Antitussive
[edit] General Properties
*Molecular Weight
445.46238
*Exact Mass
445.173667
*Molecular Formula
C23H27NO8
*IUPAC NAME
6-[2-[6-(2-dimethylaminoethyl)-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid
*Canonical Smiles
CN(C)CCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2
*Isomeric Smiles
N/A
*XLogP
0.5
*Hydrogen bond donor
1
*Hydrogen bond acceptor
9
*Rotational Bond Count
10
*Topological Polar Surface Area
104
