BIAdb O,O-bisacetyldaurisoline 2860

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Revision as of 11:24, 20 November 2009

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{{Drugbox | IUPAC_name =[(1R)-1-[[4-acetyloxy-3-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl] acetate | PubChem = 195700 | DrugBank = | ChemSpiderID = | chemical_formula =C₄₁H₄₆N₂O₈ | molecular_weight = 694.81254 | smiles = CC(=O)OC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C)OC)OC(=O)C)OC4=CC=C(C=C4)CC5C6=CC(=C(C=C6CCN5C)OC)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

N/A

Function

Calcium channel blocker

General Properties

*Molecular Weight

694.81254

*Exact Mass

694.325416

*Molecular Formula

C₄₁H₄₆N₂O₈

*IUPAC NAME

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

*Canonical Smiles

CC(=O)OC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C)OC)OC(=O)C)OC4=CC=C(C=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC

*Isomeric Smiles

CC(=O)OC1=C(C=C(C=C1)C[C@@H]2C3=CC(=C(C=C3CCN2C)OC)OC(=O)C)OC4=CC=C(C=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC

*XLogP

6.6

*Hydrogen bond donor

0

*Hydrogen bond acceptor

10

*Rotational Bond Count

13

*Topological Polar Surface Area

96

External Links

• Pubchem

Link to BIAdb Database