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Technical details about Saroglitazar, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 495399-09-2, Lipaglyn, Zyh1, Saroglitazar [inn], (s)-2-ethoxy-3-(4-(2-(2-methyl-5-(4-(methylthio)phenyl)-1h-pyrrol-1-yl)ethoxy)phenyl)propanoic acid, E0ymx3s4jd
Molecular Formula
C25H29NO4S
Molecular Weight
439.6  g/mol
InChI Key
MRWFZSLZNUJVQW-DEOSSOPVSA-N
FDA UNII
E0YMX3S4JD

Saroglitazar has been investigated for the treatment of Fatty Liver.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid
2.1.2 InChI
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
2.1.3 InChI Key
MRWFZSLZNUJVQW-DEOSSOPVSA-N
2.1.4 Canonical SMILES
CCOC(CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=C(C=C3)SC)C)C(=O)O
2.1.5 Isomeric SMILES
CCO[C@@H](CC1=CC=C(C=C1)OCCN2C(=CC=C2C3=CC=C(C=C3)SC)C)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
E0YMX3S4JD
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (2s)-2-ethoxy-3-(4-(2-(2-methyl-5-(4-(methylsulfanyl)phenyl)-1h-pyrrol-1-yl(ethoxy)phenyl)propanoic Acid

2. (2s)-2-ethoxy-3-(4-(2-(2-methyl-5-(4-(methylsulfanyl)phenyl)-1h-pyrrol-1-yl(ethoxy)phenyl)propanoic Acid Magnesium Salt (2:1)

3. Alpha-ethoxy-4-(2-(2-methyl-5-(4-methylthio)phenyl))-1h-pyrrol-1-yl)ethoxy))benzenepropanoic Acid

4. Alpha-ethoxy-4-(2-(2-methyl-5-(4-methylthio)phenyl))-1h-pyrrol-1-yl)ethoxy))benzenepropanoic Acid Magnesium Salt

5. Lipaglyn

6. Saroglitazar Magnesium

7. Zyh1 Compound

2.3.2 Depositor-Supplied Synonyms

1. 495399-09-2

2. Lipaglyn

3. Zyh1

4. Saroglitazar [inn]

5. (s)-2-ethoxy-3-(4-(2-(2-methyl-5-(4-(methylthio)phenyl)-1h-pyrrol-1-yl)ethoxy)phenyl)propanoic Acid

6. E0ymx3s4jd

7. 495399-09-2 (free)

8. (2s)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic Acid

9. Unii-e0ymx3s4jd

10. Saroglitazarum

11. Saroglitazar [who-dd]

12. Chembl4297530

13. Schembl16346340

14. Dtxsid10197819

15. Chebi:134708

16. Bcp25470

17. Vua39909

18. Mfcd28502034

19. S9674

20. Cs-6149

21. Db13115

22. (2s)-2-ethoxy-3-(4-(2-(2-methyl-5-(4-(methylsulfanyl)phenyl)-1h-pyrrol-1-yl(ethoxy)phenyl)propanoic Acid

23. Hy-19937

24. P14958

25. A913988

26. Q15269693

27. (2s)-2-ethoxy-3-[4-(2-{2-methyl-5-[4-(methylthio)phenyl]-1h-pyrrol-1-yl}ethoxy)phenyl]propanoic Acid

28. (s)-alpha-ethoxy-4-[2-[-methyl-5-[4-(methylthio) Phenyl]-1h-pyrrol-1-yl]ethoxy]benzene-propanoic Acid

29. Benzenepropanoic Acid, .alpha.-ethoxy-4-(2-(2-methyl-5-(4-(methylthio)phenyl)-1h-pyrrol-1-yl)ethoxy)-, (.alpha.s)-

2.4 Create Date
2012-09-10
3 Chemical and Physical Properties
Molecular Weight 439.6 g/mol
Molecular Formula C25H29NO4S
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass439.18172958 g/mol
Monoisotopic Mass439.18172958 g/mol
Topological Polar Surface Area86 Ų
Heavy Atom Count31
Formal Charge0
Complexity532
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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