Please Wait
Applying Filters...
Menu
$ API Ref.Price (USD/KG) : 24,273Xls
2D Structure
Also known as: 183204-72-0, Tipiracil hcl, Tipiracil (hydrochloride), Tipiracil hydrochloride [usan], Tas-1-462, 4h59klq0a4
Molecular Formula
C9H12Cl2N4O2
Molecular Weight
279.12  g/mol
InChI Key
KGHYQYACJRXCAT-UHFFFAOYSA-N
FDA UNII
4H59KLQ0A4

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione;hydrochloride
2.1.2 InChI
InChI=1S/C9H11ClN4O2.ClH/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11;/h11H,1-4H2,(H2,12,13,15,16);1H
2.1.3 InChI Key
KGHYQYACJRXCAT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC(=N)N(C1)CC2=C(C(=O)NC(=O)N2)Cl.Cl
2.2 Other Identifiers
2.2.1 UNII
4H59KLQ0A4
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 183204-72-0

2. Tipiracil Hcl

3. Tipiracil (hydrochloride)

4. Tipiracil Hydrochloride [usan]

5. Tas-1-462

6. 4h59klq0a4

7. 5-chloro-6-((2-iminopyrrolidin-1-yl)methyl)pyrimidine-2,4(1h,3h)-dione Hydrochloride

8. Chembl65375

9. Ma-1 Hydrochloride

10. Tpi

11. Unii-4h59klq0a4

12. Tipiracil.hcl

13. 5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]pyrimidine-2,4(1h,3h)-dione Hydrochloride

14. Tipiracilhydrochloride

15. Tipiracil Monohydrochloride

16. 5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1h-pyrimidine-2,4-dione;hydrochloride

17. Schembl1682924

18. Chebi:90877

19. Ex-a882

20. Dtxsid001027748

21. Amy25415

22. Bcp06245

23. Ex-a1393

24. Hy-a0063

25. Tipiracil Hydrochloride (jan/usan)

26. Tipiracil Hydrochloride [mi]

27. Mfcd01571384

28. S3731

29. Tipiracil Hydrochloride [jan]

30. Akos027427002

31. Ccg-267234

32. Cs-1637

33. Tipiracil Hydrochloride [who-dd]

34. 2,4(1h,3h)-pyrimidinedione,5-chloro-6-[(2-imino-1-pyrrolidinyl)methyl]-, Hydrochloride (1:1)

35. Ac-30634

36. As-56082

37. Tipiracil Hydrochloride, >=98% (hplc)

38. Db-065426

39. Ft-0700247

40. Tipiracil Hydrochloride [orange Book]

41. A13098

42. D10467

43. Lonsurf Component Tipiracil Hydrochloride

44. A847265

45. S-95005 Component Tipiracil Hydrochloride

46. Tas-102 Component Tipiracil Hydrochloride

47. Tipiracil Hydrochloride Component Of Lonsurf

48. J-690251

49. Q27162848

50. 5-chloro-6-(1-(2-iminopyrrolidinyl)methyl)uracil Hydrochloride

51. 5-chloro-6-(1-(2-iminopyrrolidinyl)-methyl)uracil Hydrochloride

52. 2,4(1h,3h)-pyrimidinedione,5-chloro-6-[(2-imino-1-pyrrolidinyl)methyl] Hydrochloride

53. 5-chloro-6-((2-iminopyrrolidin-1-yl)methyl)pyrimidine-2,4(1h,3h)-dione Hcl

54. 5-chloro-6-((2-iminopyrrolidin-1-yl)methyl)pyrimidine-2,4(1h,3h)-dionehydrochloride

55. 5-chloro-6-(2-iminopyrrolidin-1-yl)methyl-2,4(1h,3h)-pyrimidinedione Hydrochloride

56. 5-chloro-6-(2-iminopyrrolidin-1-yl)methyl-2,4-(1h,3h)-pyrimidinedione Hydrochloride

57. 1-[(5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]pyrrolidin-2-iminium Chloride

58. 2,4(1h,3h)-pyrimidinedione, 5-chloro-6-((2-imino-1-pyrrolidinyl)methyl)-, Hydrochloride (1:1)

59. 5-chloro-6-((2-iminopyrrolidin-1-yl)methyl)pyrimidine-2,4(1h,3h)-dione Hydrochloride;tipiracil Hcl

60. 5-chloro-6-(2-imino-pyrrolidin-1-yl)methyl-2,4(1h,3h)-pyrimidinedione Hydrochloride

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 279.12 g/mol
Molecular Formula C9H12Cl2N4O2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass278.0337310 g/mol
Monoisotopic Mass278.0337310 g/mol
Topological Polar Surface Area85.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity404
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2