BIAdb 5,5'-Methylenedipapaverine 1054
From DrugPedia: A Wikipedia for Drug discovery
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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] | ||
+ | [[Category:BIAdb]] |
Current revision
{{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