Armepavine

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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2138 Link to BIAdb Database]
[http://crdd.osdd.net/raghava/biadb/detail.php?id=2138 Link to BIAdb Database]
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[[Category:BIAdb]]

Revision as of 11:11, 10 December 2009

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Show 2-D Structure

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 98348
ChemSpider 88809
Chemical data
Formula C19H23NO3
Mol. mass 313.39082
SMILES eMolecules & PubChem
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

External Links

Link to BIAdb Database