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

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2D Structure
Also known as: Setogepram, Fezagepras, 1002101-19-0, Pbi-4050, Benzeneacetic acid, 3-pentyl-, (3-pentylphenyl)acetic acid
Molecular Formula
C13H18O2
Molecular Weight
206.28  g/mol
InChI Key
PEGQOIGYZLJMIB-UHFFFAOYSA-N
FDA UNII
879OVM0Y1S

Setogepram is under investigation in clinical trial NCT03184584 (Open-Label Rollover Study of PBI 4050 in Subjects With Alstrm Syndrome).
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(3-pentylphenyl)acetic acid
2.1.2 InChI
InChI=1S/C13H18O2/c1-2-3-4-6-11-7-5-8-12(9-11)10-13(14)15/h5,7-9H,2-4,6,10H2,1H3,(H,14,15)
2.1.3 InChI Key
PEGQOIGYZLJMIB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCC1=CC(=CC=C1)CC(=O)O
2.2 Other Identifiers
2.2.1 UNII
879OVM0Y1S
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (3-pentylphenyl)acetic Acid

2. Benzeneacetic Acid, 3-pentyl-

3. Pbi-4050

4. Setogepram

2.3.2 Depositor-Supplied Synonyms

1. Setogepram

2. Fezagepras

3. 1002101-19-0

4. Pbi-4050

5. Benzeneacetic Acid, 3-pentyl-

6. (3-pentylphenyl)acetic Acid

7. 3-pentylbenzeneacetic Acid

8. 879ovm0y1s

9. 1002101-19-0 (free Acid)

10. Fezagepras [inn]

11. Unii-879ovm0y1s

12. 2-(3-pentylphenyl)aceticacid

13. Schembl289216

14. Chembl4297635

15. Gtpl10043

16. Pbi4050

17. Cqb10119

18. Bdbm50548388

19. Zinc113492390

20. Db15447

21. Hy-100775a

22. As-59875

23. Cs-0062694

24. C90270

25. Q27895887

2.4 Create Date
2008-03-17
3 Chemical and Physical Properties
Molecular Weight 206.28 g/mol
Molecular Formula C13H18O2
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass206.130679813 g/mol
Monoisotopic Mass206.130679813 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity189
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1