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Chemistry

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Also known as: 3819-00-9, Quide, Psymod, Piperacetazinum, Pc-1421, 1-[10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone

Molecular Formula

C₂₄H₃₀N₂O₂S

Molecular Weight

410.6 g/mol

InChI Key

BTFMCMVEUCGQDX-UHFFFAOYSA-N

FDA UNII

KL6248WNW4

1 2D Structure

Piperacetazine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone

2.1.2 InChI

InChI=1S/C24H30N2O2S/c1-18(28)20-7-8-24-22(17-20)26(21-5-2-3-6-23(21)29-24)13-4-12-25-14-9-19(10-15-25)11-16-27/h2-3,5-8,17,19,27H,4,9-16H2,1H3

2.1.3 InChI Key

BTFMCMVEUCGQDX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)CCO

2.2 Other Identifiers

2.2.1 UNII

KL6248WNW4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 3819-00-9

2. Quide

3. Psymod

4. Piperacetazinum

5. Pc-1421

6. 1-[10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone

7. Sc 9794

8. Nsc-760067

9. 10-(3-(4-(2-hydroxyethyl)piperidino)propyl)phenothiazin-2-yl Methyl Ketone

10. Kl6248wnw4

11. Ethanone, 1-(10-(3-(4-(2-hydroxyethyl)-1-piperidinyl)propyl)-10h-phenothiazin-2-yl)-

12. Ncgc00016642-01

13. Cas-3819-00-9

14. Dsstox_cid_3481

15. Ketone, 10-(3-(4-(2-hydroxyethyl)piperidino)propyl)phenothiazin-2-yl Methyl

16. 1-(10-(3-(4-(2-hydroxyethyl)-1-piperidinyl)propyl)-10h-phenothiazin-2-yl)ethanone

17. Dsstox_rid_77047

18. Dsstox_gsid_23481

19. Piperacetazina [inn-spanish]

20. Piperacetazina

21. Piperazetazina

22. Piperazetazina [dcit]

23. Ethanone, 1-[10-[3-[4-(2-hydroxyethyl)-1-piperidinyl]propyl]-10h-phenothiazin-2-yl]-

24. Piperacetazinum [inn-latin]

25. Einecs 223-312-0

26. Unii-kl6248wnw4

27. Piperacetazine [usan:usp:inn]

28. 1-(10-{3-[4-(2-hydroxyethyl)-1-piperidinyl]propyl}-10h-phenothiazin-2-yl)ethanone

29. Quide (tn)

30. Prestwick0_001048

31. Prestwick1_001048

32. Prestwick2_001048

33. Prestwick3_001048

34. 2-acetyl-10-(3-(4-(beta-hydroxyethyl)piperidino)propyl)phenothiazine

35. Piperacetazine [mi]

36. Chembl1584

37. Piperacetazine (usan/inn)

38. Piperacetazine [inn]

39. Bspbio_000976

40. Piperacetazine [usan]

41. Mls002154124

42. Piperacetazine [vandf]

43. Schembl148569

44. Spbio_002908

45. Piperacetazine [mart.]

46. Piperacetazine(250mg)

47. Bpbio1_001074

48. Piperacetazine [who-dd]

49. Dtxsid7023481

50. Chebi:92293

51. Hms1571a18

52. Hms2098a18

53. Hms2230g17

54. Hms3369h17

55. Hms3715a18

56. Pharmakon1600-01503874

57. Zinc538186

58. Piperacetazine [green Book]

59. Hy-b1152

60. Piperacetazine [orange Book]

61. Tox21_110540

62. Nsc760067

63. Akos030526141

64. Tox21_110540_1

65. Ccg-213229

66. Cs-4756

67. Nsc 760067

68. Ncgc00016642-02

69. Ncgc00016642-04

70. Ncgc00179353-01

71. As-56571

72. Smr001233431

73. Ab00514021

74. D02679

75. D85498

76. Ab00514021_06

77. 819p009

78. Sr-01000841199

79. Q3905512

80. Sr-01000841199-2

81. Z2065671295

82. 2-acetyl-10-(3-(4-(.beta.-hydroxyethyl)piperidino)propyl)phenothiazine

83. 1-(10-(3-[4-(2-hydroxyethyl)-1-piperidinyl]propyl)-10h-phenothiazin-2-yl)ethanone #

84. 1-(10-{3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl}-10h-phenothiazin-2-yl)ethanone

85. 1-[10-[3-[4-(2-hydroxyethyl)-1-piperidinyl]propyl]-2-phenothiazinyl]ethanone

86. 1-(10-{3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl}-10h-phenothiazin-2-yl)ethan-1-one

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₃₀N₂O₂S
Molecular Weight	410.6 g/mol
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	410.20279938 g/mol
Monoisotopic Mass	410.20279938 g/mol
Topological Polar Surface Area	69.1 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	537
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