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Overview of 3-(2-Chloroethyl)-6,7,8,9-Tetrahydro-9-Hydroxy-2-Methyl-4H-Pyrido[1,2-A]Pyrimidin-4-One

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4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-
PharmaCompass
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-
Also known as: 130049-82-0, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4h-pyrido[1,2-a]pyrimidine-4-one, 3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, Mfcd09835552
Molecular Formula
C11H15ClN2O2
Molecular Weight
242.703  g/mol
InChI Key
JKVUGXRJSYRXFN-UHFFFAOYSA-N

1 2D Structure

4H-Pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
2.1.2 InChI
InChI=1S/C11H15ClN2O2/c1-7-8(4-5-12)11(16)14-6-2-3-9(15)10(14)13-7/h9,15H,2-6H2,1H3
2.1.3 InChI Key
JKVUGXRJSYRXFN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C(=O)N2CCCC(C2=N1)O)CCCl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 130049-82-0

2. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

3. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4h-pyrido[1,2-a]pyrimidine-4-one

4. 3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-4-one

5. 3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

6. Mfcd09835552

7. 3-(2-chloro-ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one

8. Ak-29818

9. 4h-pyrido[1,2-a]pyrimidin-4-one,3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-

10. Q-102531

11. Q-200327

12. 3-(2-chloroethyl)-9-hydroxy-2-methyl-6h,7h,8h,9h-pyrido[1,2-a]pyrimidin-4-one

13. 4h-pyrido[1,2-a]pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-

14. Paliperidone Impurity N

15. Pubchem13657

16. Acmc-1byz4

17. Schembl530941

18. Pyr319

19. Jsp001821

20. Ctk4b6500

21. Dtxsid00573961

22. Molport-003-845-827

23. Cs-b0009

24. Ks-00000n9v

25. Zx-rl000370

26. Anw-51603

27. Rw2415

28. Akos015850555

29. Ac-1499

30. Acn-050809

31. Cm14434

32. Ls40426

33. Qc-7783

34. Rp17928

35. Rtr-004105

36. An-14861

37. Bc678274

38. Br-29818

39. Ds-11346

40. Kb-69778

41. Or301076

42. Sc-44255

43. Ab0010040

44. Ab1004567

45. Ax8079329

46. Db-028213

47. St2410342

48. Tr-004105

49. 4ch-015346

50. Ft-0649316

51. S-2888

52. 049c820

53. A806009

54. I14-2551

55. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-m

56. 3-(2,2,2-trimethylhydrazinyl)propenoic Acid Methyl Ester Bromide

57. 3-(2-chloroethyl)-2-methyl-9-hydroxy-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one

58. 3-(2-chloroethyl)-2-methyl-9-oxidanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

59. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4h-pyrido[1,2-a]-pyrimidin-4-one

60. 3-(2-chloroethyl)-9-hydroxy-2-methyl-4h,6h,7h,8h,9h-pyrido[1,2-a]pyrimidin-4-one

61. 3-(2-chloroethyl)-9-hydroxy-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

62. 3-(2-chloroethyl)-9-hydroxy-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]pyrimidine-4-one

63. 3-(2-chloroethyl)-9-hydroxy-6,7,8.9-tetrahydro-2-methyl-4h-pyrido[1,2-a]pyrimidine-4-one

64. 3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4h-pyrido-[1,2-a]-pyrimidin-4-one

65. 3-(2-chloroethyl)-9-hydroxy-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]-pyrimidine-4-one

66. 9-hydroxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-alpha]pyrimidin-4-one

2.3 Create Date
2007-02-10
3 Chemical and Physical Properties
Molecular Weight 242.703 g/mol
Molecular Formula C11H15ClN2O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass242.082 g/mol
Monoisotopic Mass242.082 g/mol
Topological Polar Surface Area52.9 A^2
Heavy Atom Count16
Formal Charge0
Complexity376
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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