O-Methyldauricine

From DrugPedia: A Wikipedia for Drug discovery

{{Drugbox | IUPAC_name =(1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline | PubChem = 200521 | DrugBank = | ChemSpiderID = | chemical_formula =C₃₉H₄₆N₂O₆ | molecular_weight = 638.79234 | smiles = CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)OC)OC)OC | synonyms = | density = | melting_point = | boiling_point = | solubility = | bioavailability = | protein_bound = | metabolism = | elimination_half-life = }}

[edit] Description

O-Methyldauricine was originally obtained by methylating natural dauricine with diazomethane. It was first detected in plant source Colubrina asiatica.

[edit] General Properties

*Molecular Weight

638.79234

*Molecular Formula

C₃₉H₄₆N₂O₆

*IUPAC NAME

(1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline

*Canonical Smiles

CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)OC)OC)OC

*Isomeric Smiles

CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)OC)OC)OC

*XLogP

5.4

*Topological Polar Surface Area

61.9