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CAS 189028-95-3 manufacturers and suppliers on PharmaCompass

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CAS 189028-95-3
Also known as: 189028-95-3, (s)-3-((s)-5-(4-fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one, 2-oxazolidinone, 3-[(5s)-5-(4-fluorophenyl)-5-hydroxy-1-oxopentyl]-4-phenyl-, (4s)-, Mfcd13194798, Ezetimibe intermediate-6, Schembl515189
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. 2-oxazolidinone, 3-[(5s)-5-(4-fluorophenyl)-5-hydroxy-1-oxopentyl]-4-phenyl-, (4s)-

4. Mfcd13194798

5. Ezetimibe Intermediate-6

6. Schembl515189

7. Dtxsid50437685

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

9. Act07248

10. Zinc22059525

11. Akos015896433

12. Ds-4317

13. (4s)-4-phenyl-3-[(5s)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one

14. Ac-26981

15. Cs-0037017

16. I11512

17. 028f953

18. (4s)-3-[(5s)-5-(4-fluoro-phenyl)-5-hydroxy-pentanoyl]-4-phenyl-oxazolidin-2-one

19. (4s)-3-[(s)-5-hydroxy-5-(4-fluorophenyl)valeryl]-4beta-phenyloxazolidine-2-one

20. 2-oxazolidinone,3-[(5s)-5-(4-fluorophenyl)-5-hydroxy-1-oxopentyl]-4-phenyl-,(4s)-

21. (4s)-3-[(5r)-5-(4-fluorophenyl)-5- Hydroxypentanoyl]-4-phenyl-1,3-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 Mass357.13763628 g/mol
Monoisotopic Mass357.13763628 g/mol
Topological Polar Surface Area66.8 Ų
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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