CAS 168828-82-8

Chemistry, 2 End Use API, 18 Related Intermediates

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Also known as: 168828-82-8, (5r)-3-(3-fluoro-4-(4-morpholinyl)phenyl)-5-hydroxymethyl-2-oxazolidione, Pnu-100440, V7v7qjb5qj, ((r)-3-(3-fluoro-4-morpholinophenyl)-2-oxo-5-oxazolidinyl)methanol, (5r)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

Molecular Formula

C₁₄H₁₇FN₂O₄

Molecular Weight

296.29 g/mol

InChI Key

OLDRPBWULXUVTL-LLVKDONJSA-N

FDA UNII

V7V7QJB5QJ

1 2D Structure

CAS 168828-82-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

2.1.2 InChI

InChI=1S/C14H17FN2O4/c15-12-7-10(17-8-11(9-18)21-14(17)19)1-2-13(12)16-3-5-20-6-4-16/h1-2,7,11,18H,3-6,8-9H2/t11-/m1/s1

2.1.3 InChI Key

OLDRPBWULXUVTL-LLVKDONJSA-N

2.1.4 Canonical SMILES

C1COCCN1C2=C(C=C(C=C2)N3CC(OC3=O)CO)F

2.1.5 Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CO)F

2.2 Other Identifiers

2.2.1 UNII

V7V7QJB5QJ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 168828-82-8

2. (5r)-3-(3-fluoro-4-(4-morpholinyl)phenyl)-5-hydroxymethyl-2-oxazolidione

3. Pnu-100440

4. V7v7qjb5qj

5. ((r)-3-(3-fluoro-4-morpholinophenyl)-2-oxo-5-oxazolidinyl)methanol

6. (5r)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

7. (5r)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-(hydroxymethyl)-2-oxazolindinone

8. (r)-5-(hydroxymethyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one

9. (5r)-3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

10. (5r)-3-(3-fluoro-4-morpholinophenyl)-5-(hydroxymethyl)oxazolidin-2-one

11. (r)-5-(hydroxymethyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one, (-)-

12. 2-oxazolidinone, 3-(3-fluoro-4-(4-morpholinyl)phenyl)-5-(hydroxymethyl)-, (5r)-

13. Unii-v7v7qjb5qj

14. Mfcd06658241

15. (5r)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-hydroxymethyl-2-oxazolidione

16. (5r)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-(hydroxymethyl)-2-oxazolidinone

17. Chembl596913

18. Schembl2829206

19. Dtxsid90441549

20. Act01858

21. Zinc21298212

22. Akos005063828

23. Akos015919719

24. Ac-4277

25. Ds-1756

26. Cs-0030812

27. 828f828

28. Q-100203

29. Q27291642

30. 5(r)-hydroxymethyl-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one

31. (5r)-3-(3-fluoro-4-morpholinophenyl)-5-(hydroxymethyl)oxazolidine-2-one

32. 5(r)-hydroxymethyl-3-(4-morpholino-3-fluoro-phenyl)oxazolidin-2-one

33. (5r)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

34. (5r)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-5-(hydroxymethyl)-2oxazolidinone

35. (5r)-5-(hydroxymethyl)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxazolidinone

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₇FN₂O₄
Molecular Weight	296.29 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	296.11723519 g/mol
Monoisotopic Mass	296.11723519 g/mol
Topological Polar Surface Area	62.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	378
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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CAS Number

168828-82-8

Intermediate Name

3-(3-Fluoro-4-morpholin-4-yl-phenyl...

About the Company

Sigmak Lifesciences is a leading contract manufacturer, merchant exporter, & distributor of pharmaceutica...

Sigmak Lifesciences is a leading contract manufacturer, merchant exporter, & distributor of pharmaceutical APIs & Fine Chemicals. We excel in Contract Manufacturing, covering a wide spectrum of intermediates, including advance intermediates, cGMP, & non-GMP intermediates. We represent GMP and WHO-certified manufacturers of APIs & advanced intermediates, offering Distribution & Agency services with rigorous selection processes & regular audits to guarantee top-quality products. Moreover, our global Strategic Sourcing capabilities provide high-quality ingredients & performance chemicals to the Pharmaceuticals & Specialty Chemical Industries.

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CAS Number

168828-82-8

Intermediate Name

(R)-3-(3-Fluoro-4-morpholinophenyl)...

About the Company

Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd. (BJ Zhongshuo) was established in 2001....

Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd. (BJ Zhongshuo) was established in 2001. It came from a subsidiary company of China National Pharmaceutical Industry Company affiliated to China National Pharmaceutical Group (CNPIC). BJ Zhongshuo runs a medicine R&D centre in Beijing Economic-Technological Development Area with over 20 experienced specialists and a batch of advanced equipment for experiment and detection. The centre deals with the R&D for innovated drugs and Generic drugs as well as the optimization and improvement on exiting products. The R&D centre is now able to deal with 10-15 new products per year.

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