Diflorasone diacetate
From DrugPedia: A Wikipedia for Drug discovery
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==Description== | ==Description== | ||
+ | [http://172.141.127.22/raghava/hmrbase/test_extract.php?db=arun&table=nphormonet&id=1047&show=SHOW-3D Show 3-D Structure] | ||
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RN given refers to (6alpha,11beta,16beta)-isomer; structure | RN given refers to (6alpha,11beta,16beta)-isomer; structure | ||
==General Properties== | ==General Properties== |
Revision as of 08:52, 19 February 2009
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Contents |
Description
RN given refers to (6alpha,11beta,16beta)-isomer; structure
General Properties
*Molecular Weight
494.52
*Molecular Formula
C26H32F2O7
*IUPAC NAME
[(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-acetyloxyacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate
*Canonical Smiles
CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)OC(=O)C)C)O)F)C)F
*Isomeric Smiles
C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)OC(=O)C)C)O)F)C)F
PhysioChemical Properties
*Melting Point
*LogP
*Water Solubility