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Also known as: 446292-07-5, 2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-1h-isoindole-1,3(2h)-dione, 2-[(2r)-2-hydroxy-3-{[4-(3-oxomorpholin-4-yl)phenyl]amino}propyl]-1h-isoindole-1,3(2h)-dione, 2-[(2r)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione, 1h-isoindole-1,3(2h)-dione,2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-, 2-((2r)-2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)phenyl]amino}propyl)-1h-isoindole-1,3(2h)-dione
Molecular Formula
C21H21N3O5
Molecular Weight
395.4  g/mol
InChI Key
CKFVSMPWXAASIQ-MRXNPFEDSA-N

CAS 446292-07-5
1 2D Structure

CAS 446292-07-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione
2.1.2 InChI
InChI=1S/C21H21N3O5/c25-16(12-24-20(27)17-3-1-2-4-18(17)21(24)28)11-22-14-5-7-15(8-6-14)23-9-10-29-13-19(23)26/h1-8,16,22,25H,9-13H2/t16-/m1/s1
2.1.3 InChI Key
CKFVSMPWXAASIQ-MRXNPFEDSA-N
2.1.4 Canonical SMILES
C1COCC(=O)N1C2=CC=C(C=C2)NCC(CN3C(=O)C4=CC=CC=C4C3=O)O
2.1.5 Isomeric SMILES
C1COCC(=O)N1C2=CC=C(C=C2)NC[C@H](CN3C(=O)C4=CC=CC=C4C3=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 446292-07-5

2. 2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-1h-isoindole-1,3(2h)-dione

3. 2-[(2r)-2-hydroxy-3-{[4-(3-oxomorpholin-4-yl)phenyl]amino}propyl]-1h-isoindole-1,3(2h)-dione

4. 2-[(2r)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione

5. 1h-isoindole-1,3(2h)-dione,2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-

6. 2-((2r)-2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)phenyl]amino}propyl)-1h-isoindole-1,3(2h)-dione

7. Ec 610-200-5

8. Schembl77318

9. Amy4159

10. Dtxsid10467923

11. Bcp27211

12. Cs-m0561

13. Mfcd11977664

14. Zinc65742968

15. Akos016007842

16. Ds-4456

17. 2-((2r)-2-hydroxy-3-((4-(3-oxo-4-morpholinyl) Phenyl)amino)propyl)-1h-isoindole-1,3(2h)-dione

18. Ac-25296

19. F12082

20. A854756

21. (r)-2-(2-hydroxy-3-((4-(3-oxomorpholino)phenyl)-amino)propyl)isoindoline-1,3-dione

22. (r)-2-(2-hydroxy-3-(4-(3-oxo-morpholino)phenylamino)propyl)isoindoline-1,3-dione

23. (r)-2-(2-hydroxy-3-(4-(3-oxomorpholino)phenylamino)propyl)isoindoline-1,3-dione

24. (r)-2-{2-hydroxy-3-[4-(3-oxo-morpholin-4-yl)-phenylamino]-propyl}-isoindole-1,3-dione

25. 2-{(2r)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl}-1h-isoindole-1,3(2h)-dione

26. 2-{2(r)-hydroxy-3-[4-(3-oxo-morpholin-4-yl)phenyl Amino]-propyl}-isoindole-1,3-dione

27. (r)-2-(2-hydroxy-3-((4-(3-oxomorpholino)phenyl)amino)propyl)isoindoline-1,3-dione; 2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-1h-isoindole-1,3(2h)-dione

28. (r)-2-(2-hydroxy-3-{[4-(3-oxomorpholin-4-yl)phenyl]amino}propyl)-1h-isoindole-1,3(2h)-dione

29. 1h-isoindole-1,3(2h)-dione, 2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]

30. 2((2r)-2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)phenyl]amino}propyl)-1h-iso-indole-1,3(2h)-dione

31. 2-((2r)-2-hydroxy-3-{ [4-(3-oxo-4-morpholinyl)phenyl]amino}propyl)-1h-isoindole-1,3(2h)-dione

32. 2-((2r)-2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)-phenyl]amino}propyl)-1h-isoindole-1,3(2h)dione

33. 2-((2r)-2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)phenyl]amino}propyl)-1h-iso-indole-1,3(2h)-dione

34. 2-((2r)-2-hydroxy-3{[4-(3-oxo-4-morpholinyl)phenyl]amino}propyl)-1h-iso-indole-1,3(2h)-dione

35. 2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]-amino]propyl]-1h-isoindole-1,3(2h)-dione

36. 2-[(2r)-2-hydroxy-3-{[4(3-oxomorpholin-4-yl)phenyl]amino}propyl]-1h-isoindole-1,3(2h)-dione

37. 2-[(2r)-2-hydroxy-3-{[4-(3-oxo Morpholin-4-yl)phenyl]amino}propyl]-1h-isoindole-1,3(2h)-dione

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 395.4 g/mol
Molecular Formula C21H21N3O5
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass395.14812078 g/mol
Monoisotopic Mass395.14812078 g/mol
Topological Polar Surface Area99.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity610
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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