Hydrastine
From DrugPedia: A Wikipedia for Drug discovery
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==Description== | ==Description== | ||
| + | Hydrastine is a natural alkaloid which was discovered in 1851 by Alfred P. Durand. By hydrolysis of hydrastine one receives Hydrastinine, which was patented by Bayer as a haemostatic drug during 1910s. | ||
| + | |||
| + | It is naturally present in Hydrastis canadensis (thus the name) and other plants of the ranunculaceae. | ||
==General Properties== | ==General Properties== | ||
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1117 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1117 Link to BIAdb Database] | ||
| + | [[Category:BIAdb_old]] | ||
Current revision
| Hydrastine
| |
| Systematic (IUPAC) name | |
| 6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H21NO6 |
| Mol. mass | 383.39454 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
[edit] Description
Hydrastine is a natural alkaloid which was discovered in 1851 by Alfred P. Durand. By hydrolysis of hydrastine one receives Hydrastinine, which was patented by Bayer as a haemostatic drug during 1910s.
It is naturally present in Hydrastis canadensis (thus the name) and other plants of the ranunculaceae.
[edit] General Properties
*Molecular Weight
383.39454
*Molecular Formula
C21H21NO6
*IUPAC NAME
6,7-dimethoxy-3-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one
*Canonical Smiles
CN1CCC2=CC3=C(C=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3
*Isomeric Smiles
N/A
*XLogP
2.6
*Topological Polar Surface Area
66.5
