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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

CAS 446292-08-6
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 Weight 421.4 g/mol
Molecular Formula C22H19N3O6
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass421.12738533 g/mol
Monoisotopic Mass421.12738533 g/mol
Topological Polar Surface Area96.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity740
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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