EWR

(2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid

Created: 2020-02-13
Last modified:  2020-11-11

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Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count1
Bond Count62
Aromatic Bond Count17
2D diagram of EWR
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Chemical Component Summary

Name(2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid
Systematic Name (OpenEye OEToolkits)(2~{S})-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid
FormulaC25 H29 N O4 S
Molecular Weight439.567
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CCO[CH](Cc1ccc(OCCn2c(C)ccc2c3ccc(SC)cc3)cc1)C(O)=O
SMILESOpenEye OEToolkits2.0.7CCOC(Cc1ccc(cc1)OCCn2c(ccc2c3ccc(cc3)SC)C)C(=O)O
Canonical SMILESCACTVS3.385 CCO[C@@H](Cc1ccc(OCCn2c(C)ccc2c3ccc(SC)cc3)cc1)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CCO[C@@H](Cc1ccc(cc1)OCCn2c(ccc2c3ccc(cc3)SC)C)C(=O)O
InChIInChI1.03 InChI=1S/C25H29NO4S/c1-4-29-24(25(27)28)17-19-6-10-21(11-7-19)30-16-15-26-18(2)5-14-23(26)20-8-12-22(31-3)13-9-20/h5-14,24H,4,15-17H2,1-3H3,(H,27,28)/t24-/m0/s1
InChIKeyInChI1.03 MRWFZSLZNUJVQW-DEOSSOPVSA-N

Drug Info: DrugBank

DrugBank IDDB13115 
NameSaroglitazar
Groups investigational
DescriptionSaroglitazar has been investigated for the treatment of Fatty Liver.
Synonyms
  • Saroglitazar magnesium
  • Saroglitazarum
  • Saroglitazar
CategoriesAcids, Carbocyclic
CAS number495399-09-2

Related Resource References

Resource NameReference
Pharos CHEMBL4297530
PubChem 60151560
ChEMBL CHEMBL4297530
ChEBI CHEBI:134708