8A7

(5R)-5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}methyl)-1,3-thiazolidine-2,4-dione

Created: 2017-01-16
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count1
Bond Count56
Aromatic Bond Count21
2D diagram of 8A7
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Chemical Component Summary

Name(5R)-5-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}methyl)-1,3-thiazolidine-2,4-dione
SynonymsEdaglitazone
Systematic Name (OpenEye OEToolkits)5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione
FormulaC24 H20 N2 O4 S2
Molecular Weight464.557
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c5ccc(c4oc(C)c(CCOc2ccc(c1c2ccs1)CC3SC(=O)NC3=O)n4)cc5
SMILESCACTVS3.385Cc1oc(nc1CCOc2ccc(C[CH]3SC(=O)NC3=O)c4sccc24)c5ccccc5
SMILESOpenEye OEToolkits2.0.6Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)CC5C(=O)NC(=O)S5
Canonical SMILESCACTVS3.385 Cc1oc(nc1CCOc2ccc(C[C@H]3SC(=O)NC3=O)c4sccc24)c5ccccc5
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)CC5C(=O)NC(=O)S5
InChIInChI1.03 InChI=1S/C24H20N2O4S2/c1-14-18(25-23(30-14)15-5-3-2-4-6-15)9-11-29-19-8-7-16(21-17(19)10-12-31-21)13-20-22(27)26-24(28)32-20/h2-8,10,12,20H,9,11,13H2,1H3,(H,26,27,28)
InChIKeyInChI1.03 HAAXAFNSRADSMK-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB06519 
NameEdaglitazone
Groups investigational
Synonyms
  • Edaglitazone
  • Edaglitazone sodium
IndicationInvestigated for use/treatment in diabetes mellitus type 2.
CategoriesSulfur Compounds
CAS number213411-83-7

Related Resource References

Resource NameReference
PubChem 76961439