Iol Chemicals And Pharmaceuticals

CAS 189028-93-1

Chemistry, 5 End Use API, 49 Related Intermediates

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1 Intermediates

1 Intermediates

Also known as: 189028-93-1, (4s)-3-[5-(4-fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2-oxazolidinone, (s)-1-(4-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione, 1-(4-fluorophenyl)-5-[(4s)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione, 2-oxazolidinone, 3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-, (4s)-, 3-[5-(1,5-dioxo-5-(p-fluophenylpentyl]-4(s)-phenyl-2-oxazolidinone

Molecular Formula

C₂₀H₁₈FNO₄

Molecular Weight

355.4 g/mol

InChI Key

XXSSRSVXDNUAQX-QGZVFWFLSA-N

1 2D Structure

CAS 189028-93-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione

2.1.2 InChI

InChI=1S/C20H18FNO4/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/h1-3,5-6,9-12,17H,4,7-8,13H2/t17-/m1/s1

2.1.3 InChI Key

XXSSRSVXDNUAQX-QGZVFWFLSA-N

2.1.4 Canonical SMILES

C1C(N(C(=O)O1)C(=O)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3

2.1.5 Isomeric SMILES

C1[C@@H](N(C(=O)O1)C(=O)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 189028-93-1

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

3. (s)-1-(4-fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione

4. 1-(4-fluorophenyl)-5-[(4s)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione

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

6. 3-[5-(1,5-dioxo-5-(p-fluophenylpentyl]-4(s)-phenyl-2-oxazolidinone

7. Ezetimibeintermediate

8. Mfcd08061377

9. 1,5-pentanedione, 1-(4-fluorophenyl)-5-[(4s)-2-oxo-4-phenyl-3-oxazolidinyl]-

10. Schembl1177723

11. Dtxsid20458165

12. Act07247

13. Amy30629

14. Bcp27351

15. Sc3731

16. Zinc21999755

17. (4s)-3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-2-oxazolidinone

18. (4s)-4-phenyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-1,3-oxazolidin-2-one

19. Akos015896147

20. Ac-1649

21. As-17430

22. Cs-0156598

23. P2111

24. 028f931

25. J-501477

26. (s)-3-[4-(4-fluorobenzoyl)-1-oxobutyl]-4-phenyloxazolidin-2-one

27. 3-[5-(1,5-dioxo-5-(p-fluophenylpentyl]-4s-phenyl-2-oxazolidinone

28. (4s)-3-(5-(4-fluorophenyl)-1,5-dioxophenyl)-4-phenyl-2-oxazolidinone

29. (4s)-3-[5-(4-fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2- Oxazolidinone

30. (s)-3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyloxazolidin-2-one

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

32. (4s)-3-[1,5-dioxo-5-(4-fluorophenyl)pentyl]-4beta-phenyloxazolidine-2-one

33. (5)-1-(4-fluoro-phenyl)-5-(2-oxo-4-phenyl-oxazolidin-3-yl)-pentane-1,5-dione

34. (s)-1-(4-fluoro-phenyl)-5-(2-oxo-4-phenyl-oxazolidin-3-yl)-pentane-1,5-dione

35. (s)-3-(5-(4-fluorophenyl)-5-oxopentanoyl)-4-phenyloxazolidin-2-one;(4s)-3-[5-(4-fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2-oxazolidinone

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₁₈FNO₄
Molecular Weight	355.4 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	355.12198622 g/mol
Monoisotopic Mass	355.12198622 g/mol
Topological Polar Surface Area	63.7 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	524
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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IOL Chemicals is an innovation-driven bulk drug, Intermediate and Specialty Chemicals company.

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(s)-(+)-4-phenyl-2-oxazolidinone

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CAS Number

99395-88-7

End Use API

Ezetimibe

About the Company

With a history spanning over three decades, IOL Chemicals and Pharmaceuticals Limited is an innovation-dr...

With a history spanning over three decades, IOL Chemicals and Pharmaceuticals Limited is an innovation-driven company that specializes in bulk drugs, intermediates and specialty chemicals. As an API-based company, IOL Chemicals has substantial manufacturing capacities that provide economies of scale and cost advantages. It also has extensive expertise in specialty chemicals. IOL Chemicals’ API portfolio includes various therapeutic categories such as pain management, anti-diabetic, anti-hypertensive and anti-convulsant. IOL Chemicals is a backward-integrated company that produces all intermediates and key starting materials for ibuprofen.