BIAdb Papaverine 2899
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2899 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2899 Link to BIAdb Database] | ||
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Current revision
| BIAdb Papaverine 2899
| |
| Systematic (IUPAC) name | |
| 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C20H21NO4 |
| Mol. mass | 339.38504 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Rauvolfia serpentina
[edit] Function
Smooth muscle relaxant
[edit] General Properties
*Molecular Weight
339.38504
*Exact Mass
339.147058
*Molecular Formula
C20H21NO4
*IUPAC NAME
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
*Canonical Smiles
COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC
*Isomeric Smiles
N/A
*XLogP
3.9
*Hydrogen bond donor
0
*Hydrogen bond acceptor
5
*Rotational Bond Count
6
*Topological Polar Surface Area
49.8
