BIAdb Papaveraldine 2896
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2896 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2896 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Papaveraldine 2896
| |
| Systematic (IUPAC) name | |
| (E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]-prop-2-enoxyazanium chloride | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C23H25ClN2O5 |
| Mol. mass | 444.908 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Degradation product of papaverine
[edit] Function
Relaxant
[edit] General Properties
*Molecular Weight
444.908
*Exact Mass
444.1452
*Molecular Formula
C23H25ClN2O5
*IUPAC NAME
(E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]-prop-2-enoxyazanium chloride
*Canonical Smiles
COC1=C(C=C(C=C1)C(=[NH+]OCC=C)C2=NC=CC3=CC(=C(C=C32)OC)OC)OC.[Cl-]
*Isomeric Smiles
COC1=C(C=C(C=C1)/C(=[NH+]OCC=C)/C2=NC=CC3=CC(=C(C=C32)OC)OC)OC.[Cl-]
*XLogP
N/A
*Hydrogen bond donor
1
*Hydrogen bond acceptor
7
*Rotational Bond Count
9
*Topological Polar Surface Area
73
