BIAdb Methyl hydrastine 2684

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Revision as of 11:21, 20 November 2009

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{{Drugbox | IUPAC_name =(3Z)-3-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxy-2-benzofuran-1-one | PubChem = 5358791 | DrugBank = | ChemSpiderID = | chemical_formula =C₂₂H₂₃NO₆ | molecular_weight = 397.42112 | smiles = CN(C)CCC1=CC2=C(C=C1C=C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)OCO2 | 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

397.42112

*Exact Mass

397.152537

*Molecular Formula

C₂₂H₂₃NO₆

*IUPAC NAME

(3Z)-3-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxy-2-benzofuran-1-one

*Canonical Smiles

CN(C)CCC1=CC2=C(C=C1C=C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)OCO2

*Isomeric Smiles

CN(C)CCC1=CC2=C(C=C1/C=C3/C4=C(C(=C(C=C4)OC)OC)C(=O)O3)OCO2

*XLogP

3.5

*Hydrogen bond donor

0

*Hydrogen bond acceptor

7

*Rotational Bond Count

6

*Topological Polar Surface Area

66.5

External Links

• Pubchem

Link to BIAdb Database