Armepavine
From DrugPedia: A Wikipedia for Drug discovery
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| Line 8: | Line 8: | ||
| PubChem = 98348 | | PubChem = 98348 | ||
| DrugBank = | | DrugBank = | ||
| - | | ChemSpiderID = | + | | ChemSpiderID = 88809 |
| chemical_formula =C<sub>1</sub><sub>9</sub>H<sub>2</sub><sub>3</sub>NO<sub>3</sub> | | chemical_formula =C<sub>1</sub><sub>9</sub>H<sub>2</sub><sub>3</sub>NO<sub>3</sub> | ||
| molecular_weight = 313.39082 | | molecular_weight = 313.39082 | ||
| - | | smiles = | + | | smiles = CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)O)OC)OC |
| - | | synonyms = | + | | synonyms = Evoeuropine |
| density = | | density = | ||
| - | | melting_point = | + | | melting_point = 144-145 |
| boiling_point = | | boiling_point = | ||
| solubility = | | solubility = | ||
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<b>*Isomeric Smiles</b> | <b>*Isomeric Smiles</b> | ||
| - | + | CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)O)OC)OC | |
| - | + | ||
<b>*XLogP</b> | <b>*XLogP</b> | ||
Revision as of 04:27, 1 May 2009
| Armepavine
| |
| Systematic (IUPAC) name | |
| 4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| ChemSpider | |
| Chemical data | |
| Formula | C19H23NO3 |
| Mol. mass | 313.39082 |
| SMILES | & |
| Synonyms | Evoeuropine |
| Physical data | |
| Melt. point | 144-145 °C |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Description
reticuline-like; RN given refers to cpd without isomeric designation
General Properties
*Molecular Weight
313.39082
*Molecular Formula
C19H23NO3
*IUPAC NAME
4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol
*Canonical Smiles
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC
*Isomeric Smiles CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)O)OC)OC
*XLogP
2.7
*Topological Polar Surface Area
41.9
