CAS 64744-50-9

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2 End Use APIs
5 Related Intermediates

Chemistry

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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

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 Formula	C₉H₁₅NO
Molecular Weight	153.22 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	153.115364102 g/mol
Monoisotopic Mass	153.115364102 g/mol
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	170
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1