BIAdb Papaverinol 2911
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2911 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2911 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Papaverinol 2911
| |
| Systematic (IUPAC) name | |
| (6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanol | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C20H21NO5 |
| Mol. mass | 355.38444 |
| 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
355.38444
*Exact Mass
355.141973
*Molecular Formula
C20H21NO5
*IUPAC NAME
(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanol
*Canonical Smiles
COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)O)OC
*Isomeric Smiles
N/A
*XLogP
2.8
*Hydrogen bond donor
1
*Hydrogen bond acceptor
6
*Rotational Bond Count
6
*Topological Polar Surface Area
70
