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Chemistry

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Also known as: 32672-69-8, Mesoridazine benzenesulfonate, Mesoridazine besilate, Nc 123, Mesoridazine (besylate), 10-(2-(1-methylpiperidin-2-yl)ethyl)-2-(methylsulfinyl)-10h-phenothiazine benzenesulfonate

Molecular Formula

C₂₇H₃₂N₂O₄S₃

Molecular Weight

544.8 g/mol

InChI Key

CRJHBCPQHRVYBS-UHFFFAOYSA-N

FDA UNII

T4G2I958J2

1 2D Structure

Mesoridazine Besylate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzenesulfonic acid;10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine

2.1.2 InChI

InChI=1S/C21H26N2OS2.C6H6O3S/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23;7-10(8,9)6-4-2-1-3-5-6/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;1-5H,(H,7,8,9)

2.1.3 InChI Key

CRJHBCPQHRVYBS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)C.C1=CC=C(C=C1)S(=O)(=O)O

2.2 Other Identifiers

2.2.1 UNII

T4G2I958J2

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 32672-69-8

2. Mesoridazine Benzenesulfonate

3. Mesoridazine Besilate

4. Nc 123

5. Mesoridazine (besylate)

6. 10-(2-(1-methylpiperidin-2-yl)ethyl)-2-(methylsulfinyl)-10h-phenothiazine Benzenesulfonate

7. Nsc-760073

8. Mesoridazine Besylate [usp]

9. Mesoridazine (benzenesulfonate)

10. Chebi:6781

11. 32672-69-8 (besylate)

12. T4g2i958j2

13. 10-(2-(1-methyl-2-piperidyl)ethyl)-2-(methylsulfinyl)phenothiazine Monobenzenesulfonate

14. (+-)-10-(2-(1-methyl-2-piperidyl)ethyl)-2-(methylsulfinyl)phenothiazine Monobenzenesulfonate

15. Benzenesulfonic Acid;10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine

16. Mesoridazine Besylate (usp)

17. Lidanar; Lidanil; Mesoridazine Benzenesulfonate;nc 123

18. 10-[2-(1-methyl-2-piperidinyl)ethyl]-2-(methylsulfinyl)-10h-phenothiazine

19. Mesoridazine Besilate (10-[2-[(2rs)-1-methylpiperidin-2-yl]ethyl]-2-(methylsufhinyl)-10h-phenothiazine Besilate)

20. Smr000466274

21. Unii-t4g2i958j2

22. Sr-01000759425

23. 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylsulfinyl)-10h-phenothiazine Benzenesulfonate

24. Serentil (tn)

25. Prestwick_853

26. Prestwick0_000529

27. Schembl41229

28. Mls000758302

29. Mls001424031

30. Mls002222270

31. Mesoridazine Monobenzenesulfonate

32. Chembl1201052

33. Thioridazine-2-sulfoxide Besylate

34. Dtxsid10954368

35. Hms1569j19

36. Hms2051m09

37. Hms2096j19

38. Hms2234g16

39. Hms3369o09

40. Hms3393m09

41. Hms3713j19

42. Hms3885h21

43. Pharmakon1600-01505500

44. Hy-b1482

45. Mesoridazine Besylate [vandf]

46. Nsc760073

47. Mesoridazine Besilate [mart.]

48. Mesoridazine Besilate [who-dd]

49. Mesoridazine Besylate [usp-rs]

50. Ccg-100781

51. Ccg-213471

52. Nc00031

53. Nsc 760073

54. 10h-phenothiazine, 10-(2-(1-methyl-2-piperidinyl)ethyl)-2-(methylsulfinyl)-, (+-)-, Monobenzenesulfonate

55. 10h-phenothiazine, 10-(2-(1-methyl-2-piperidinyl)ethyl)-2-(methylsulfinyl)-, Monobenzenesulfonate

56. Benzenesulfonic Acid, Compd. With 10-(2-(1-methyl-2-piperidinyl)ethyl)- 2-(methylsulfinyl)ethyl)-10h-phenothiazine (1:1)

57. Mesoridazine Benzenesulfonate [mi]

58. Smr000449304

59. Mesoridazine Besylate [orange Book]

60. (s)-(-)-diaminopropanetartaricacid

61. Mesoridazine Besylate [usp Impurity]

62. Cs-0013182

63. Sw196983-4

64. D00795

65. J-018829

66. Sr-01000759425-6

67. Mesoridazine Benzenesulfonate, >=98% (hplc), Powder

68. Q27107329

69. Mesoridazine Besylate, United States Pharmacopeia (usp) Reference Standard

70. 10-(2-(1-methylpiperidin-2-yl)ethyl)-2-(methylsulfinyl)-10h-phenothiazinebenzenesulfonate

71. (+/-)-10-(2-(1-methyl-2-piperidyl)ethyl)-2-(methylsulfinyl)phenothiazine Monobenzenesulfonate

72. (+/-)-10-(2-(1-methyl-2-piperidyl)ethyl)-2-(methylsulphinyl)phenothiazine Monobenzenesulphonate

73. 10h-phenothiazine, 10-(2-(1-methyl-2-piperidinyl)ethyl)-2-(methylsulfinyl)-, (+/-)-, Monobenzenesulfonate

74. 10h-phenothiazine, 10-(2-(1-methyl-2-piperidinyl)ethyl)-2-(methylsulphinyl)-, (+/-)-, Monobenzenesulphonate

75. Benzenesulfonic Acid--2-(methanesulfinyl)-10-[2-(1-methylpiperidin-2-yl)ethyl]-10h-phenothiazine (1/1)

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₃₂N₂O₄S₃
Molecular Weight	544.8 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	544.15242103 g/mol
Monoisotopic Mass	544.15242103 g/mol
Topological Polar Surface Area	131 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	686
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2