2-Methoxyestradiol-3-methylether

From DrugPedia: A Wikipedia for Drug discovery

Revision as of 07:12, 13 February 2009 (edit) Raghavagps (Talk | contribs) m (1 revision) ← Previous diff		Current revision (04:39, 11 December 2009) (edit) (undo) Gaurav (Talk | contribs)
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	==Description==		==Description==
		+	[http://crdd.osdd.net/raghava/hmrbase/test_extract.php?&db=arun&table=nphormonet&id=1223&show=SHOW-3D Show 3-D Structure]
	==General Properties==		==General Properties==
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Current revision

Contents 1 Description 2 General Properties 3 PhysioChemical Properties 4 External Links

[edit] Description

Show 3-D Structure

[edit] General Properties

*Molecular Weight

395.23

*Molecular Formula

C₂₀H₂₈O₃

*IUPAC NAME

(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

*Canonical Smiles

C=CCN1C(=O)C(=CC2=CC3=C(C=C2Br)OCO3)C(=O)NC1=S

*Isomeric Smiles

C=CCN1C(=O)/C(=CC2=CC3=C(C=C2Br)OCO3)/C(=O)NC1=S

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

• [1]Pubchem
• [2]Human Metabolome DataBase