BIAdb Reticuline N-oxide 3083
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=3083 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=3083 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb Reticuline N-oxide 3083
| |
| Systematic (IUPAC) name | |
| (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C19H23NO5 |
| Mol. mass | 345.38962 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
345.38962
*Exact Mass
345.157623
*Molecular Formula
C19H23NO5
*IUPAC NAME
(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol
*Canonical Smiles
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC)[O-]
*Isomeric Smiles
C[N+]1(CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)O)O)OC)[O-]
*XLogP
2.5
*Hydrogen bond donor
2
*Hydrogen bond acceptor
5
*Rotational Bond Count
4
*Topological Polar Surface Area
82
