Valsynthese

CAS 446292-08-6

Chemistry, 8 End Use API, 86 Related Intermediates

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Also known as: 446292-08-6, 2-[[(5s)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1h-isoindole-1,3(2h)-dione, 2xrk8ybc47, Rivaroxaban impurity 9, 4-[4-[(5s)-5-phthalimidomethyl-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone, 2-[[(5s)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione

Molecular Formula

C₂₂H₁₉N₃O₆

Molecular Weight

421.4 g/mol

InChI Key

KUQNYAUTIWQAKY-MRXNPFEDSA-N

FDA UNII

2XRK8YBC47

1 2D Structure

CAS 446292-08-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione

2.1.2 InChI

InChI=1S/C22H19N3O6/c26-19-13-30-10-9-23(19)14-5-7-15(8-6-14)24-11-16(31-22(24)29)12-25-20(27)17-3-1-2-4-18(17)21(25)28/h1-8,16H,9-13H2/t16-/m1/s1

2.1.3 InChI Key

KUQNYAUTIWQAKY-MRXNPFEDSA-N

2.1.4 Canonical SMILES

C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CN4C(=O)C5=CC=CC=C5C4=O

2.1.5 Isomeric SMILES

C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CN4C(=O)C5=CC=CC=C5C4=O

2.2 Other Identifiers

2.2.1 UNII

2XRK8YBC47

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 446292-08-6

2. 2-[[(5s)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1h-isoindole-1,3(2h)-dione

3. 2xrk8ybc47

4. Rivaroxaban Impurity 9

5. 4-[4-[(5s)-5-phthalimidomethyl-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone

6. 2-[[(5s)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione

7. 1h-isoindole-1,3(2h)-dione, 2-[[(5s)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-

8. 2-({(5s)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1h-isoindole-1,3(2h)-dione

9. 1h-isoindole-1,3(2h)-dione, 2-(((5s)-2-oxo-3-(4-(3-oxo-4-morpholinyl)phenyl)-5-oxazolidinyl)methyl)-

10. 2-([(5s)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1h-isoindole-1,3(2h)-dione

11. 2-({(5s)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1h-isoindole-1,3(2h)-dione

12. Unii-2xrk8ybc47

13. Ec 610-201-0

14. Schembl78772

15. Amy1795

16. Dtxsid10470679

17. Cs-m0563

18. Mfcd11977665

19. Zinc38253714

20. Akos015999673

21. 2-(((5s)-2-oxo-3-(4-(3-oxo-4-morpholinyl)phenyl)-1,3-oxazolidin-5-yl)methyl)-lh Isoindole-1,3(2h)-dione

22. Ac-25868

23. Ds-18301

24. Rivaroxaban Impurity G [ep Impurity]

25. A15574

26. F11545

27. (s)-2 ((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione

28. (s)-2((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione

29. (s)-2-((2-oxo-3-(4-(3-oxo-morpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione

30. (s)-2-((2-oxo-3-(4-(3-oxomorpholino)phenyl)-oxazolidin-5-yl)methyl)isoindoline-1,3-dione

31. (r)-2-((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione;(s)-2-((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione

32. (s)-2-((2-oxo-3-(4-(3-oxomorpholino) Phenyl) Oxazolidin-5-yl)methyl)isoindoline-1,3-dione

33. (s)-2-({2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1h-isoindole-1,3(2h)-dione

34. 2-({(5s)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1, 3-oxazolidin-5-yl}methyl)-1h-isoindole-1,3(2h)-dione

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₁₉N₃O₆
Molecular Weight	421.4 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	421.12738533 g/mol
Monoisotopic Mass	421.12738533 g/mol
Topological Polar Surface Area	96.5 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	740
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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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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Digital Content

4-4-Aminophenyl-3-Morpholinone

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CAS Number

438056-69-0

End Use API

Rivaroxaban

About the Company

Valsynthese, a privately held CDMO, is a member of the SSE Group. Headquartered in Brig, Switzerland, it ...

Valsynthese, a privately held CDMO, is a member of the SSE Group. Headquartered in Brig, Switzerland, it has a broad international reach. With over a century of experience in highly hazardous and energetic chemistry, it has the expertise to develop fine chemical projects and has established the capability to produce key chemical intermediates and APIs under GMP and ISO certification. Valsynthese is regarded as one of Europe's most experienced CDMO chemical producers. It offers a variety of projects, ranging from lab procedures to tonne-scale manufacturing. It supplies its customers with high-quality products at competitive prices.