Urapidil Hydrochloride

Synopsis, Chemistry

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Also known as: Urapidil hcl, 64887-14-5, Urapidil (hydrochloride), Pvu92pzo12, Ncgc00094502-01, Ebrantil (tn)

Molecular Formula

C₂₀H₃₀ClN₅O₃

Molecular Weight

423.9 g/mol

InChI Key

KTMLZVUAXJERAT-UHFFFAOYSA-N

FDA UNII

PVU92PZO12

1 2D Structure

Urapidil Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride

2.1.2 InChI

InChI=1S/C20H29N5O3.ClH/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3;/h4-5,7-8,15,21H,6,9-14H2,1-3H3;1H

2.1.3 InChI Key

KTMLZVUAXJERAT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C(=CC(=O)N(C1=O)C)NCCCN2CCN(CC2)C3=CC=CC=C3OC.Cl

2.2 Other Identifiers

2.2.1 UNII

PVU92PZO12

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Urapidil Hcl

2. 64887-14-5

3. Urapidil (hydrochloride)

4. Pvu92pzo12

5. Ncgc00094502-01

6. Ebrantil (tn)

7. Dsstox_cid_25812

8. Dsstox_rid_81149

9. Dsstox_gsid_45812

10. 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride

11. 6-((3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)amino)-1,3-dimethylpyrimidine-2,4(1h,3h)-dione Hydrochloride

12. 6-[[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyl-2,4(1h,3h)-pyrimidinedione Monohydrochloride

13. Smr000058525

14. Sr-01000075295

15. Cas-64887-14-5

16. Unii-pvu92pzo12

17. Urapidilhydrochloride

18. Urapidil Hydrochloride,(s)

19. Urapidil Hydrochloride, Solid

20. Mls000758309

21. Mls001424033

22. C20h29n5o3.hcl

23. Schembl1321654

24. Chembl1256716

25. Dtxsid2045812

26. Hy-b0354a

27. Hms1570f12

28. Pharmakon1600-01503100

29. Bcp23389

30. Tox21_111286

31. Tox21_501265

32. Mfcd00078601

33. Nsc758226

34. S2025

35. Akos015994621

36. Tox21_111286_1

37. Ac-8089

38. Ccg-100798

39. H61u751

40. Hs-0064

41. Lp01265

42. Nc00048

43. Nsc-758226

44. Urapidil Hydrochloride [who-dd]

45. Ncgc00016066-14

46. Ncgc00261950-01

47. Eu-0101265

48. Ft-0675734

49. Sw197244-4

50. U-100

51. C76033

52. D08662

53. Sr-01000075295-1

54. Sr-01000075295-3

55. Sr-01000075295-9

56. Q27286781

57. Sr-01000075295-10

58. 6[[3-[4-(o-methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyluracil Hydrochloride

59. 2,4(1h,3h)-pyrimidinedione, 6-((3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)amino)-1,3-dimethyl-, Monohydrochloride

60. 6-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propylamino)-1,3-dimethylpyrimidine-2,4(1h,3h)-dione Hydrochloride

61. 6-[[3-[4-(2-methoxyphenyl)-1-pipera Zinyl]propyl]amino]-1,3-dimethyl-2,4(1h,3h)-pyrimi Dinedione Hydrochloride

62. 6-[[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyl-2,4(1h,3h)-pyrimidinedione Hydrochloride

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₃₀ClN₅O₃
Molecular Weight	423.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	423.2037175 g/mol
Monoisotopic Mass	423.2037175 g/mol
Topological Polar Surface Area	68.4 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	588
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	2