BIAdb Dauricoline 1994

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{{Drugbox | IUPAC_name =1-[[4-hydroxy-3-[4-[[(1R)-6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol | PubChem = 5316320 | DrugBank = | ChemSpiderID = | chemical_formula =C₃₆H₄₀N₂O₆ | molecular_weight = 596.7126 | smiles = CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)O)OC)O)OC)O | synonyms = | density = | melting_point = | boiling_point = | solubility = | bioavailability = | protein_bound = | metabolism = | elimination_half-life = }}

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

Description

Source

N/A

Function

Unknown

General Properties

*Molecular Weight

596.7126

*Exact Mass

596.288637

*Molecular Formula

C₃₆H₄₀N₂O₆

*IUPAC NAME

1-[[4-hydroxy-3-[4-[[(1R)-6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol

*Canonical Smiles

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

*Isomeric Smiles

CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)O)OC)O)OC)O

*XLogP

6

*Hydrogen bond donor

3

*Hydrogen bond acceptor

8

*Rotational Bond Count

8

*Topological Polar Surface Area

94.9

External Links

• Pubchem

Link to BIAdb Database