CAS 898543-06-1

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Also known as: 898543-06-1, (s)-4-(4-(5-(aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one hcl, 4-[4-[(5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one hydrochloride, 4-[4-[(5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one;hydrochloride, 4-[4-[(5s)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone hydrochloride, 4-{4-[(5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one hydrochloride

Molecular Formula

C₁₄H₁₈ClN₃O₄

Molecular Weight

327.76 g/mol

InChI Key

ITMQDYQHNKXERQ-YDALLXLXSA-N

FDA UNII

R5YC7W3X3C

1 2D Structure

CAS 898543-06-1

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;hydrochloride

2.1.2 InChI

InChI=1S/C14H17N3O4.ClH/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;1H/t12-;/m0./s1

2.1.3 InChI Key

ITMQDYQHNKXERQ-YDALLXLXSA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

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

2.2 Other Identifiers

2.2.1 UNII

R5YC7W3X3C

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 898543-06-1

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

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

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

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

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

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

8. 4-(4-((5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl)phenyl)morpholin-3-one Hydrochloride

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

10. 4-[4-[(5s)-5-(aminomethyl)-2-oxooxazolidin-3-yl]phenyl]morpholin-3-one Hydrochloride

11. Ec 618-311-0

12. R5yc7w3x3c

13. Schembl792570

14. Dtxsid20581225

15. Cs-m1864

16. Mfcd20133901

17. Akos016001386

18. R-(-)-methamphetamine-d3 Hydrochloride

19. 1329647-30-4

20. 3-morpholinone, 4-[4-[(5s)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-, Hydrochloride (1:1)

21. Ac-25295

22. As-19754

23. Da-18285

24. Am20090739

25. J-513406

26. 4-{4-[(5s)-5-aminomethyl)-2-oxo-1,3-oxazolidin-3-yl}morpholin-3-one

27. S)-4-(4-(5-(aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one.hcl

28. (s)-4-(4-(5-(aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-onehydrochloride

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

30. 4-((s)-5-aminomethyl-2-oxo-oxazolidin-3-yl)-phenyl-morpholin-3-one Hydrochloride

31. 4-(4-(5-(aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one Hydrochloride

32. 4-[4-[(5s)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone Hydrochloride Salt

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

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

35. 4-{4-[(5s)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one--hydrogen Chloride (1/1)

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

2.4 Create Date

2007-04-09

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₈ClN₃O₄
Molecular Weight	327.76 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	327.0985838 g/mol
Monoisotopic Mass	327.0985838 g/mol
Topological Polar Surface Area	85.1 Å²
Heavy Atom Count	22
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	2