BIAdb 5,5'-Methylenedipapaverine 1054

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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1054 Link to BIAdb Database]
[http://crdd.osdd.net/raghava/biadb/detail.php?id=1054 Link to BIAdb Database]
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[[Category:BIAdb]]

Current revision

Show 3-D Structure

Show 2-D Structure

{{Drugbox | IUPAC_name =1-[(3,4-dimethoxyphenyl)methyl]-5-[[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-5-yl]methyl]-6,7-dimethoxyisoquinoline | PubChem = 241621 | DrugBank = | ChemSpiderID = | chemical_formula =C41H42N2O8 | molecular_weight = 690.78078 | smiles = COC1=C(C=C(C=C1)CC2=NC=CC3=C(C(=C(C=C32)OC)OC)CC4=C5C=CN=C(C5=CC(=C4OC)OC)CC6=CC(=C(C=C6)OC)OC)OC | synonyms = | density = | melting_point = | boiling_point = | solubility = | bioavailability = | protein_bound = | metabolism = | elimination_half-life = }}

Contents

[edit] Description

[edit] Source

N/A

[edit] Function

Unknown

[edit] General Properties

*Molecular Weight

690.78078

*Exact Mass

690.294116

*Molecular Formula

C41H42N2O8

*IUPAC NAME

1-[(3,4-dimethoxyphenyl)methyl]-5-[[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-5-yl]methyl]-6,7-dimethoxyisoquinoline

*Canonical Smiles

COC1=C(C=C(C=C1)CC2=NC=CC3=C(C(=C(C=C32)OC)OC)CC4=C5C=CN=C(C5=CC(=C4OC)OC)CC6=CC(=C(C=C6)OC)OC)OC

*Isomeric Smiles

N/A

*XLogP

7.9

*Hydrogen bond donor

0

*Hydrogen bond acceptor

10

*Rotational Bond Count

14

*Topological Polar Surface Area

99.6

[edit] External Links

Link to BIAdb Database