BIAdb Neferine 2762

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Revision as of 11:21, 20 November 2009

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{{Drugbox | IUPAC_name =4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol | PubChem = 159654 | DrugBank = | ChemSpiderID = | chemical_formula =C₃₈H₄₄N₂O₆ | molecular_weight = 624.76576 | smiles = CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC | 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

Nelumbo nucifera

Function

Hypotensive

General Properties

*Molecular Weight

624.76576

*Exact Mass

624.319937

*Molecular Formula

C₃₈H₄₄N₂O₆

*IUPAC NAME

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

*Canonical Smiles

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

*Isomeric Smiles

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

*XLogP

6.7

*Hydrogen bond donor

1

*Hydrogen bond acceptor

8

*Rotational Bond Count

10

*Topological Polar Surface Area

72.9

External Links

• Pubchem

Link to BIAdb Database