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Overview of CAS 189028-95-3

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CAS 189028-95-3
PharmaCompass
CAS 189028-95-3
Also known as: 189028-95-3, (s)-3-((s)-5-(4-fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one, (4s)-3-[(5r)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one, 2-oxazolidinone, 3-[(5s)-5-(4-fluorophenyl)-5-hydroxy-1-oxopentyl]-4-phenyl-, (4s)-, (s)-3-[(s)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-2-oxazolidinone, Avaznwohqjycel-msolqxfvsa-n
Molecular Formula
C20H20FNO4
Molecular Weight
357.4  g/mol
InChI Key
AVAZNWOHQJYCEL-MSOLQXFVSA-N

1 2D Structure

CAS 189028-95-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4S)-3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one
2.1.2 InChI
InChI=1S/C20H20FNO4/c21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)22-17(13-26-20(22)25)14-5-2-1-3-6-14/h1-3,5-6,9-12,17-18,23H,4,7-8,13H2/t17-,18+/m1/s1
2.1.3 InChI Key
AVAZNWOHQJYCEL-MSOLQXFVSA-N
2.1.4 Canonical SMILES
C1C(N(C(=O)O1)C(=O)CCCC(C2=CC=C(C=C2)F)O)C3=CC=CC=C3
2.1.5 Isomeric SMILES
C1[C@@H](N(C(=O)O1)C(=O)CCC[C@@H](C2=CC=C(C=C2)F)O)C3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 189028-95-3

2. (s)-3-((s)-5-(4-fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one

3. (4s)-3-[(5r)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one

4. 2-oxazolidinone, 3-[(5s)-5-(4-fluorophenyl)-5-hydroxy-1-oxopentyl]-4-phenyl-, (4s)-

5. (s)-3-[(s)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-4-phenyl-2-oxazolidinone

6. Avaznwohqjycel-msolqxfvsa-n

7. Ak109378

8. Ezetimibe Intermediate-6

9. Schembl515189

10. Ctk0h1387

11. Dtxsid50437685

12. Act07248

13. Ks-00000ps3

14. Zinc22059525

15. Akos015896433

16. Ds-4317

17. Ac-26981

18. Sc-86863

19. Ab0005574

20. Ax8226721

21. Cs-0037017

22. Ft-0656395

23. Y6621

24. 028f953

25. (4s)-3-[(5s)-5-(4-fluorophenyl)-5-hydroxypentanoyl

26. (4s)-3-[(5s)-5-(4-fluoro-phenyl)-5-hydroxy-pentanoyl]-4-phenyl-oxazolidin-2-one

27. (4s)-3-[(s)-5-hydroxy-5-(4-fluorophenyl)valeryl]-4beta-phenyloxazolidine-2-one

28. (4s)-3-[(5r)-5-(4-fluorophenyl)-5- Hydroxypentanoyl]-4-phenyl-1,3-oxazolidin-2-one

29. Ezetimibe Impurity (3-[5-(4-fluoro-phenyl)-5-(s)-hydroxy-pentanoyl]-4-(r)-phenyl-oxazolidin-2-one)

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 357.4 g/mol
Molecular Formula C20H20FNO4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass357.137636 g/mol
Monoisotopic Mass357.137636 g/mol
Topological Polar Surface Area66.8
Heavy Atom Count26
Formal Charge0
Complexity486
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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