BIAdb Salsoline 3114
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=3114 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=3114 Link to BIAdb Database] | ||
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Current revision
| BIAdb Salsoline 3114
| |
| Systematic (IUPAC) name | |
| (1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C11H15NO2 |
| Mol. mass | 193.2423 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Monomethylated metabolite of salsolinol
[edit] Function
Neurotoxin
[edit] General Properties
*Molecular Weight
193.2423
*Exact Mass
193.110279
*Molecular Formula
C11H15NO2
*IUPAC NAME
(1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol
*Canonical Smiles
CC1C2=CC(=C(C=C2CCN1)O)OC
*Isomeric Smiles
C[C@H]1C2=CC(=C(C=C2CCN1)O)OC
*XLogP
1.3
*Hydrogen bond donor
2
*Hydrogen bond acceptor
3
*Rotational Bond Count
1
*Topological Polar Surface Area
41.5
