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2D Structure
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

2D Structure

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 Weight 291.30 g/mol
Molecular Formula C14H17N3O4
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass291.12190603 g/mol
Monoisotopic Mass291.12190603 g/mol
Topological Polar Surface Area85.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity409
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1