BIAdb Papaverine 2905
From DrugPedia: A Wikipedia for Drug discovery
(Difference between revisions)
m |
(→External Links) |
||
| (One intermediate revision not shown.) | |||
| Line 84: | Line 84: | ||
[http://crdd.osdd.net/raghava/biadb/detail.php?id=2905 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2905 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Papaverine 2905
| |
| Systematic (IUPAC) name | |
| 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline hydrochloride | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C20H22ClNO4 |
| Mol. mass | 375.84598 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Papaver somniferum
[edit] Function
Vasodilator
[edit] General Properties
*Molecular Weight
375.84598
*Exact Mass
375.123736
*Molecular Formula
C20H22ClNO4
*IUPAC NAME
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline hydrochloride
*Canonical Smiles
COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
*Isomeric Smiles
N/A
*XLogP
N/A
*Hydrogen bond donor
1
*Hydrogen bond acceptor
5
*Rotational Bond Count
6
*Topological Polar Surface Area
49.8
