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Also known as: 64744-50-9, Gabapentin-lactam, 4,4-pentamethylene-2-pyrrolidinone, 3,3-pentamethylene-4-butyrolactam, Gabapentin lactam, 2-azaspiro-[4,5]-decan-3-one
Molecular Formula
C9H15NO
Molecular Weight
153.22  g/mol
InChI Key
JAWPQJDOQPSNIQ-UHFFFAOYSA-N
FDA UNII
0IP6953295

CAS 64744-50-9
1 2D Structure

CAS 64744-50-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-azaspiro[4.5]decan-3-one
2.1.2 InChI
InChI=1S/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11)
2.1.3 InChI Key
JAWPQJDOQPSNIQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCC2(CC1)CC(=O)NC2
2.2 Other Identifiers
2.2.1 UNII
0IP6953295
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-(aminomethyl)cyclohexaneacetic Acid Lactam

2. 8-aza-spiro(5,4)decan-9-on

3. Gabapentin-lactam

2.3.2 Depositor-Supplied Synonyms

1. 64744-50-9

2. Gabapentin-lactam

3. 4,4-pentamethylene-2-pyrrolidinone

4. 3,3-pentamethylene-4-butyrolactam

5. Gabapentin Lactam

6. 2-azaspiro-[4,5]-decan-3-one

7. Gabapentin Related Compound A

8. 2-azaspiro(4,5)decan-3-one

9. 2-azaspiro(4.5)decan-3-one

10. 2-aza-spiro[4.5]decan-3-one

11. 4,4-pentamethylene-2-pyrrolidone

12. Mfcd00177938

13. 1-(aminomethyl)cyclohexaneacetic Acid Lactam

14. 0ip6953295

15. 3-azaspiro[4.5]decan-2-one

16. 8-aza-spiro(5,4)decan-9-on

17. 8-aza-spiro[5,4]decan-9-on

18. Brn 0119500

19. Unii-0ip6953295

20. Beta,beta-pentamethylen-gamma-butyrolactam [german]

21. Beta,beta-pentamethylen-gamma-butyrolactam

22. Ec 451-630-1

23. 5-21-07-00071 (beilstein Handbook Reference)

24. Schembl483007

25. A Gabapentin Dehydration Product

26. Chembl3115477

27. 2-aza-spiro[4,5]decan-3-one

28. Dtxsid40215070

29. Chebi:182289

30. 3,3-pentamethylene-4-butyrolactum

31. Act02804

32. Albb-013331

33. Zinc1845277

34. 2-pyrrolidone, 4,4-pentamethylene-

35. Ac1536

36. Stl450936

37. Akos005169332

38. Gabapentin Lactam [nflis-drug]

39. Ac-8435

40. Ks-5267

41. 2-pyrrolidone,4,4-pentamethylene

42. Sy006466

43. 4,4-pentamethylene-2-pyrrolidinone, 96%

44. Beta, Beta-pentamethylen-gamma-butyrolactam

45. Gabapentin Impurity A [ep Impurity]

46. Cs-0096868

47. Ft-0640970

48. P1695

49. En300-94425

50. 44g509

51. Gabapentin Related Compound A [usp-rs]

52. Gabapentin-lactam 100 Microg/ml In Acetonitrile

53. .beta.,.beta.-pentamethylen-.gamma.-butyrolactam

54. Gabapentin Related Compound A [usp Impurity]

55. Q-200416

56. Q27236831

57. Z1270207933

58. 2-bromo-2-(4-methoxy-phenyl-hydrazono)-aceticacidethylester

59. Gabapentin Ep Impurity A; Gabapentin Usp Related Compound A

60. 2-azaspiro[4.5]decan-3-one (3,3-pentamethylene-4-butyrolactam)

61. Gabapentin Impurity A, European Pharmacopoeia (ep) Reference Standard

62. Gabapentin Related Compound A, United States Pharmacopeia (usp) Reference Standard

63. 4,4-pentamethylene-2-pyrrolidone(gabapentin Related Compound A)(gabapentin Impurity A), Pharmaceutical Secondary Standard; Certified Reference Material

64. Gabapentin Usp Related Compound A; Gabapentin Lactam; 3-azaspiro-[4,5]decan-3-one; 3,3-pentamethylene-5-butyrolactam; 4,4-pentamethylene-2-pyrrolidinone

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 153.22 g/mol
Molecular Formula C9H15NO
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass153.115364102 g/mol
Monoisotopic Mass153.115364102 g/mol
Topological Polar Surface Area29.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity170
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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