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Also known as: Thiazinamium methylsulfate, Thiazinamium methyl sulfate, 58-34-4, Thiazinamium metilsulfate [inn], Thiazinamium metilsulphate, Ia16wbx317

Molecular Formula

C₁₉H₂₆N₂O₄S₂

Molecular Weight

410.6 g/mol

InChI Key

BVIDQAVCCRUFGU-UHFFFAOYSA-M

FDA UNII

IA16WBX317

1 2D Structure

Thiazinamium Metilsulfate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl sulfate;trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium

2.1.2 InChI

InChI=1S/C18H23N2S.CH4O4S/c1-14(20(2,3)4)13-19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19;1-5-6(2,3)4/h5-12,14H,13H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1

2.1.3 InChI Key

BVIDQAVCCRUFGU-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)[N+](C)(C)C.COS(=O)(=O)[O-]

2.2 Other Identifiers

2.2.1 UNII

IA16WBX317

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Methylpromethazine

2. Multergan

3. Thiazinamium

2.3.2 Depositor-Supplied Synonyms

1. Thiazinamium Methylsulfate

2. Thiazinamium Methyl Sulfate

3. 58-34-4

4. Thiazinamium Metilsulfate [inn]

5. Thiazinamium Metilsulphate

6. Ia16wbx317

7. Trimethyl(1-methyl-2-phenothiazin-10-ylethyl)ammonium Methyl Sulfate

8. Multergan

9. Multezin

10. Padisal

11. Valan

12. Methyl Sulfate;trimethyl(1-phenothiazin-10-ylpropan-2-yl)azanium

13. Prothazin Methosulfate

14. Thiazinamii Metilsulfas

15. Methylpromethazinium Methylsulfuricum

16. Einecs 200-376-8

17. Metilsulfato De Tiazinamio

18. Thiazinamii Metilsulfas [inn-latin]

19. Metilsulfate De Thiazinamium

20. Rp 3554

21. Unii-ia16wbx317

22. Metilsulfato De Tiazinamio [inn-spanish]

23. Metilsulfate De Thiazinamium [inn-french]

24. Thiazinamiummetilsulfat

25. 3354 R.p.

26. N-(beta-(10-phenothiazinyl)propyl)trimethylammonium Methyl Sulfate

27. N,n,n,alpha-tetramethyl-10h-phenothiazine-10-ethanaminium Methyl Sulfate

28. Trimethyl (1-methyl-2-phenothiazin-10-ylethyl)ammonium Methyl Sulfate

29. Trimethyl(1-methyl-2-(10-phenothiazinyl)ethyl)ammonium Methyl Sulfate

30. Ammonium, Trimethyl(1-methyl-2-phenothiazin-10-ylethyl)-, Methyl Sulfate

31. Schembl29040

32. Chembl2146061

33. Dtxsid20871532

34. 10h-phenothiazine-10-ethanaminium, N,n,n,alpha-tetramethyl-, Methyl Sulfate

35. Thiazinamium Methylsulfate [mi]

36. Thiazinamium Metilsulfate [mart.]

37. Thiazinamium Metilsulfate [who-dd]

38. Q27280630

39. Trimethyl[1-methyl-2-(phenothiazine-10-yl)ethyl]ammonium Methyl Sulfate

40. Trimethyl(1-methyl-2-phenothiazin-10-ylethyl)ammonium Methyl Sulphate

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₆N₂O₄S₂
Molecular Weight	410.6 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	410.13339966 g/mol
Monoisotopic Mass	410.13339966 g/mol
Topological Polar Surface Area	103 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	420
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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