BIAdb Ethaverine 2148
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2148 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2148 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Ethaverine 2148
| |
| Systematic (IUPAC) name | |
| 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C24H30ClNO4 |
| Mol. mass | 431.9523 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Smooth muscle relaxant
[edit] General Properties
*Molecular Weight
431.9523
*Exact Mass
431.186336
*Molecular Formula
C24H30ClNO4
*IUPAC NAME
1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride
*Canonical Smiles
CCOC1=C(C=C(C=C1)CC2=[NH+]C=CC3=CC(=C(C=C32)OCC)OCC)OCC.[Cl-]
*Isomeric Smiles
N/A
*XLogP
N/A
*Hydrogen bond donor
1
*Hydrogen bond acceptor
5
*Rotational Bond Count
10
*Topological Polar Surface Area
51.1
