CAS 446292-10-0

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98 Related Intermediates

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Chemistry

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Also known as: 446292-10-0, Jz8pkp6ctz, 3-morpholinone, 4-[4-[(5s)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-, 4-[4-[(5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one, Rivaroxaban aminomethyl impurity, 4-{4-[(5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one

Molecular Formula

C₁₄H₁₇N₃O₄

Molecular Weight

291.30 g/mol

InChI Key

DEXXSYVEWAYIGZ-LBPRGKRZSA-N

FDA UNII

JZ8PKP6CTZ

1 2D Structure

CAS 446292-10-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one

2.1.2 InChI

InChI=1S/C14H17N3O4/c15-7-12-8-17(14(19)21-12)11-3-1-10(2-4-11)16-5-6-20-9-13(16)18/h1-4,12H,5-9,15H2/t12-/m0/s1

2.1.3 InChI Key

DEXXSYVEWAYIGZ-LBPRGKRZSA-N

2.1.4 Canonical SMILES

C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CN

2.1.5 Isomeric SMILES

C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CN

2.2 Other Identifiers

2.2.1 UNII

JZ8PKP6CTZ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 446292-10-0

2. Jz8pkp6ctz

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

4. 4-[4-[(5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one

5. Rivaroxaban Aminomethyl Impurity

6. 4-{4-[(5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one

7. 4-[4-[(5s)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone

8. Des(5-chloro-2-carboxythienyl) Rivaroxaban

9. 4-(4-((5s)-5-(aminomethyl)-2-oxo-3-oxazolidinyl)phenyl)-3-morpholinone

10. 3-morpholinone, 4-(4-((5s)-5-(aminomethyl)-2-oxo-3-oxazolidinyl)phenyl)-

11. Rivaroxaban Intermediate

12. Unii-jz8pkp6ctz

13. Schembl87178

14. Bdbm7941

15. Chembl3671238

16. Dtxsid40463130

17. Amy18506

18. Cs-m0391

19. Mfcd11977666

20. Zinc34874836

21. Akos015999579

22. Ds-14628

23. 292m100

24. A846748

25. Us8822458, 151

26. 4-(4-(5-(aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one

27. (s)-4-(4-(5-(aminomethyl)-2-oxo-oxazolidin-3-yl)phenyl)morpholin-3-one

28. (s)-4-(4-(5-(aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morph Olin-3-one

29. (s)-4-[4-(5-aminomethyl-2-oxo-oxazolidin-3-yl)-phenyl]-morpholin-3-one

30. (s)-4-[4-(5-aminomethyl-2-oxo-oxazolidine-3-yl)phenyl]morpholin-3-one

31. 4-[4-((s)-5-aminomethyl-2-oxooxazolidin-3-yl)phenyl]morpholin-3-one

32. 4-[4-[(5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholine-3-one

33. 4-{4-[(5s)-5-(amino Methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one

34. 4-{4-[(5s)-5-(aminomethyl)-2-oxo-1, 3-oxazolidin-3-yl] Phenyl} Morpholin-3-one

35. 4-{4-[(5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3-morpholinone

36. 4-{4-[(5s)-5-aminomethyl-2-oxo-1,3-oxazolidine-3-yl]-phenyl}-morpholine-3-one

37. 4-{4-[5(s)-(amino Methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₇N₃O₄
Molecular Weight	291.30 g/mol
XLogP3	-0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	291.12190603 g/mol
Monoisotopic Mass	291.12190603 g/mol
Topological Polar Surface Area	85.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	409
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