CAS 130049-82-0

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BUILDING BLOCK

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6 End Use APIs
8 Related Intermediates

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3 Intermediates

3 Intermediates

Chemistry

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Also known as: 130049-82-0, 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, Paliperidone impurity 08

Molecular Formula

C₁₁H₁₅ClN₂O₂

Molecular Weight

242.70 g/mol

InChI Key

JKVUGXRJSYRXFN-UHFFFAOYSA-N

FDA UNII

4M62IXL9X4

1 2D Structure

CAS 130049-82-0

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 Other Identifiers

2.2.1 UNII

4M62IXL9X4

2.3 Synonyms

2.3.1 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]pyrimidine-4-one

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

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

5. Mfcd09835552

6. Paliperidone Impurity 08

7. 4m62ixl9x4

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

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

10. 4h-pyrido(1,2-a)pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-

11. Paliperidone Related Compound C

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

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

14. Paliperidone Impurity N

15. Unii-4m62ixl9x4

16. Schembl530941

17. Dtxsid00573961

18. 3-(2,2,2-trimethylhydrazinyl)propenoic Acid Methyl Ester Bromide

19. Amy40183

20. Bcp11296

21. Cs-b0009

22. Akos015850555

23. Ac-1499

24. Ds-11346

25. Sy019547

26. Db-028213

27. Ft-0649316

28. Paliperidone Related Compound C [usp-rs]

29. 049c820

30. A806009

31. Q-102531

32. Q-200327

33. Paliperidone Related Compound C [usp Impurity]

34. 3-(2-chloroethyl)-2-methyl-9-hydroxy-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one

35. 3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4h-pyrido[1,2-a]-pyrimidin-4-one

36. 3-(2-chloroethyl)-9-hydroxy-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

37. 3-(2-chloroethyl)-9-hydroxy-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]pyrimidine-4-one

38. 3-(2-chloroethyl)-9-hydroxy-6,7,8.9-tetrahydro-2-methyl-4h-pyrido[1,2-a]pyrimidine-4-one

39. 3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4h-pyrido-[1,2-a]-pyrimidin-4-one

40. 3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-4-one

41. 3-(2-chloroethyl)-9-hydroxy-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]-pyrimidine-4-one

42. 9-hydroxy-3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-alpha]pyrimidin-4-one

2.4 Create Date

2007-02-10

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₅ClN₂O₂
Molecular Weight	242.70 g/mol
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	242.0822054 g/mol
Monoisotopic Mass	242.0822054 g/mol
Topological Polar Surface Area	52.9 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	376
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1