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Also known as: 2347-80-0, Thioproperazine dimesylate, Thioproperazine dimesilate, Thioproperazine mesylate, Thioproperazine mesilate, Mageptyl

Molecular Formula

C₂₄H₃₈N₄O₈S₄

Molecular Weight

638.9 g/mol

InChI Key

QPMDKXBBAVQDCB-UHFFFAOYSA-N

FDA UNII

71P630M192

1 2D Structure

Mageptyl

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide;methanesulfonic acid

2.1.2 InChI

InChI=1S/C22H30N4O2S2.2CH4O3S/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25;2*1-5(2,3)4/h4-5,7-10,17H,6,11-16H2,1-3H3;2*1H3,(H,2,3,4)

2.1.3 InChI Key

QPMDKXBBAVQDCB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C.CS(=O)(=O)O.CS(=O)(=O)O

2.2 Other Identifiers

2.2.1 UNII

71P630M192

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Majeptil

2. Thioproperazine

3. Thioproperazine Mesylate

2.3.2 Depositor-Supplied Synonyms

1. 2347-80-0

2. Thioproperazine Dimesylate

3. Thioproperazine Dimesilate

4. Thioproperazine Mesylate

5. Thioproperazine Mesilate

6. Mageptyl

7. Majeptil

8. Thioproperazine Methanesulfonate

9. Thioperazine Mesylate

10. Thioproperazinum

11. Thioperazine Methanesulfate

12. Thioperazine Dimethanesulfonate

13. Nsc-33232

14. N,n-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide;methanesulfonic Acid

15. Ncgc00017040-01

16. 71p630m192

17. Dsstox_cid_25558

18. Dsstox_rid_80955

19. Dsstox_gsid_45558

20. Thioproperazine Mesilate (jan)

21. Thioproperazine Mesilate [jan]

22. Cas-2347-80-0

23. Thioproperazine Bis-methanesulfonate

24. Einecs 219-074-2

25. Unii-71p630m192

26. Prestwick_537

27. Thioproperasine Dimesylate

28. Thioproperazinum [hpus]

29. Schembl2386850

30. Chembl1481539

31. Dtxsid9045558

32. Chebi:32218

33. Hms1568m20

34. Hms2095m20

35. Hms3712m20

36. Tox21_110751

37. Nsc 33232

38. Akos015895547

39. Tox21_110751_1

40. Ccg-220149

41. Thioproperazine Mesilate [mart.]

42. Ncgc00179625-03

43. Thioproperazine Dimethanesulphonate

44. Phenothiazine-2-sulfonamide, N,n-dimethyl-10-(3-(4-methyl-1-piperazinyl)propyl)-, Dimethanesulfonate

45. Thioproperazine Dimesilate [who-dd]

46. Ft-0657240

47. Thioproperazine Dimethanesulfonate [mi]

48. D01447

49. 347t800

50. Sr-01000841211

51. Sr-01000841211-2

52. Q27265976

53. N,n-dimethyl-10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazine-2-sulfonamide Dimethanesulfonate

54. N,n-dimethyl-10-(3-(4-methylpiperazin-1-yl)propyl)-10h-phenothiazine-2-sulfonamide, Dimethanesulfonate

55. N,n-dimethyl-10-(3-(4-methylpiperazin-1-yl)propyl)-10h-phenothiazine-2-sulphonamide, Dimethanesulphonate

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₃₈N₄O₈S₄
Molecular Weight	638.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	6
Exact Mass	638.15724888 g/mol
Monoisotopic Mass	638.15724888 g/mol
Topological Polar Surface Area	206 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	753
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	3

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Thioproperazine Dimethanesulfonate

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