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Overview of 827026-45-9

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4CH-024209
PharmaCompass
4CH-024209
Also known as: 827026-45-9, 3-(4-nitro-1-oxo-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione, 2,6-piperidinedione, 3-(1,3-dihydro-4-nitro-1-oxo-2h-isoindol-2-yl)-, 3-(7-nitro-3-oxo-1h-isoindol-2-yl)piperidine-2,6-dione, Ak-82225, C13h11n3o5
Molecular Formula
C13H11N3O5
Molecular Weight
289.24  g/mol
InChI Key
JKPJLYIGKKDZDT-UHFFFAOYSA-N

1 2D Structure

4CH-024209

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(7-nitro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
2.1.2 InChI
InChI=1S/C13H11N3O5/c17-11-5-4-10(12(18)14-11)15-6-8-7(13(15)19)2-1-3-9(8)16(20)21/h1-3,10H,4-6H2,(H,14,17,18)
2.1.3 InChI Key
JKPJLYIGKKDZDT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 827026-45-9

2. 3-(4-nitro-1-oxo-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione

3. 2,6-piperidinedione, 3-(1,3-dihydro-4-nitro-1-oxo-2h-isoindol-2-yl)-

4. 3-(7-nitro-3-oxo-1h-isoindol-2-yl)piperidine-2,6-dione

5. Ak-82225

6. C13h11n3o5

7. 3-(4-nitro-1-oxo-1,3-dihydro-2h-isoindol-2-yl)piperidine-2,6-dione

8. 2,6-piperidinedione,3-(1,3-dihydro-4-nitro-1-oxo-2h-isoindol-2-yl)-

9. Lenalidomide Impurity B

10. Jkpjlyigkkdzdt-uhfffaoysa-n

11. Pubchem19172

12. Schembl33677

13. 3-(4-nitro-1-oxoisoindolin-2-yl)piperidin-2,6-dione

14. Chembl197063

15. Ctk5e9959

16. Ks-00000qhe

17. Dtxsid40467017

18. Albb-015320

19. Bcp11345

20. Cs-m1824

21. Zx-an014028

22. Anw-67747

23. Akos005174868

24. Akos015912365

25. Ac-5511

26. Ds-16532

27. Sc-89693

28. Sy035905

29. Ax8236911

30. Tc-156492

31. 4ch-024209

32. Am20090671

33. Ft-0658593

34. St24041494

35. T5248

36. Z3552

37. Mfcd11977267 (95%)

38. 026n459

39. A840419

40. 3-(4-nitro-1-oxo-1,3-dihydroisoindol-2-yl)piperidi

41. 1-oxo-2-(2,6-dioxopiperidin-3-yl )-4-nitroisoindoline

42. 1-oxo-2-(2,6-dioxopiperidin-3-yl)-4-nitroisoindoline

43. 2-(2,6-dioxo-3-piperidinyl)-4-nitroisoindoline-1-one

44. 3-(1-oxo-4-nitro-1,3-dihydro-isoindol-2-yl)-piperidine-2,6-dione

45. 3-(4-nitro-1-oxo-1,3 Dihydro-isoindol-2-yl)-piperidine-2,6-dione

46. 3-(4-nitro-1-oxo-1,3-dihydro-isoindol-2-yl)-piperidine-2,6-dione

47. 3-(4-nitro-1-oxo-1,3-dihydroisoindol-2-yl)-piperidine-2,6-dione

48. 3-(4-nitro-1-oxo-1,3dihydro-isoindol-2-yl)-piperidine-2,6-dione

49. 3-(7-nitro-3-oxidanylidene-1h-isoindol-2-yl)piperidine-2,6-dione

50. 3-(4-nitro-1,3-dihydro-1-oxo-2h-isoindol-2-yl)-2,6-dioxopiperidine

51. 3-(4-nitro-1,3-dihydro-1-oxo-2h-isoindol-2-yl)-2,6-piperidinedione

52. 3-(4-nitro-1-oxo-1,3-dihydro-2h-isoindol-2-yl)-2,6-dioxopiperidine

53. 2,6-piperidinedione, 3-(1,3-dihydro-4-nitro-1-oxo-2h-isoindol-2-yl)-, (3s)-

54. 3-(4-nitro-1,3-dihydro-1-oxo-2h-isoindol-2-yl)-2,6-piperidinedione (4-nitro Analogue Of Lenalidomide)

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 289.24 g/mol
Molecular Formula C13H11N3O5
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass289.06987 g/mol
Monoisotopic Mass289.06987 g/mol
Topological Polar Surface Area112
Heavy Atom Count21
Formal Charge0
Complexity514
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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