Synnat Pharma

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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Synnat Pharma is one of the leading active pharmaceutical ingredients and intermediates manufacturers.

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CAS Number

42518-98-9

End Use API

Rivaroxaban

About the Company

Synnat Pharma is a fast-growing pharmaceutical company dedicated to the identification, development, prod...

Synnat Pharma is a fast-growing pharmaceutical company dedicated to the identification, development, production and distribution of potent phytochemicals and botanical extracts. APIs manufactured by Synnat are used by major drug formulators worldwide. Manufacturing activities are carried out as per ICH cGMP guidelines and several conventional and modern techniques are used for the isolation, semi-synthesis and purification of its products. Synnat Pharma has a presence in semi-regulated and non-regulated markets and is now entering regulated markets.