(+)-Armepavine (-)-mandelate

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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1544 Link to BIAdb Database]
[http://crdd.osdd.net/raghava/biadb/detail.php?id=1544 Link to BIAdb Database]
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[[Category:BIAdb_old]]

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Show 3-D Structure

Show 2-D Structure

(+)-Armepavine (-)-mandelate
Systematic (IUPAC) name
4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol; 2-hydroxy-2-phenylaceticacid
Identifiers
CAS number  ?
ATC code  ?
PubChem 363092
Chemical data
Formula C27H31NO6
Mol. mass 465.53814
SMILES eMolecules & PubChem
Pharmacokinetic data
Bioavailability  ?
Metabolism  ?
Half life  ?
Excretion  ?
Therapeutic considerations
Pregnancy cat.

?

Legal status
Routes  ?

[edit] Description

[edit] General Properties

*Molecular Weight

465.53814

*Molecular Formula

C27H31NO6

*IUPAC NAME

4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol; 2-hydroxy-2-phenylaceticacid

*Canonical Smiles

CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC.C1=CC=C(C=C1)C(C(=O)O)O

*Isomeric Smiles

N/A

*XLogP

N/A

*Topological Polar Surface Area

99.5

[edit] External Links

Link to BIAdb Database