Shamrock Medicaments

CAS 446292-08-6

Chemistry, 9 End Use API, 83 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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1,1-carbonyldiimidazole

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CAS Number

530-62-1

End Use API

Rivaroxaban

About the Company

Shamrock Medicaments Ltd, formerly known as Doctor Lifeline Remedies India Ltd, has an intriguing evoluti...

Shamrock Medicaments Ltd, formerly known as Doctor Lifeline Remedies India Ltd, has an intriguing evolution. Established within the robust Shamrock Group in 2001 with a hefty $35 million investment, its inception aimed to cater to the global pharmaceutical market by leveraging India's capabilities. Over time, the company diversified its offerings, expanding into custom manufacturing of pharmaceutical raw materials, intermediates, and chemicals pertinent to the pharmaceutical industry. This strategic expansion likely enabled Shamrock Medicaments Ltd to cement its position as a significant player in the pharmaceutical landscape.

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