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Technical details about Tiemonium Methylsulfate, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 6504-57-0, Visceralgine (tn), 8pyn0uzm30, 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol;methyl sulfate, 4-(3-hydroxy-3-phenyl-3-(thiophen-2-yl)propyl)-4-methylmorpholin-4-ium methyl sulfate, Unii-8pyn0uzm30
Molecular Formula
C19H27NO6S2
Molecular Weight
429.6  g/mol
InChI Key
JPOKDEDHVLJMIJ-UHFFFAOYSA-M
FDA UNII
8PYN0UZM30

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol;methyl sulfate
2.1.2 InChI
InChI=1S/C18H24NO2S.CH4O4S/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16;1-5-6(2,3)4/h2-8,15,20H,9-14H2,1H3;1H3,(H,2,3,4)/q+1;/p-1
2.1.3 InChI Key
JPOKDEDHVLJMIJ-UHFFFAOYSA-M
2.1.4 Canonical SMILES
C[N+]1(CCOCC1)CCC(C2=CC=CC=C2)(C3=CC=CS3)O.COS(=O)(=O)[O-]
2.2 Other Identifiers
2.2.1 UNII
8PYN0UZM30
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Ottimal

2.3.2 Depositor-Supplied Synonyms

1. 6504-57-0

2. Visceralgine (tn)

3. 8pyn0uzm30

4. 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol;methyl Sulfate

5. 4-(3-hydroxy-3-phenyl-3-(thiophen-2-yl)propyl)-4-methylmorpholin-4-ium Methyl Sulfate

6. Unii-8pyn0uzm30

7. 4-[3-hydroxy-3-phenyl-3-(thiophen-2-yl)propyl]-4-methylmorpholin-4-ium Methyl Sulfate

8. Einecs 229-386-0

9. Tiemonio Metilsolfato

10. Tiemonium Methylsulphate

11. Metilsulfato De Tiemonio

12. Methylsulfate De Tiemonium

13. 4-(3-hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methylmorpholinium, Methyl Sulfate (salt)

14. Tiemonium Methyl Sulfate

15. Schembl1308366

16. Dtxsid40983580

17. Tiemonium Mesilate [who-dd]

18. Tiemonium Methylsulphate [who-dd]

19. D08595

20. Q27270876

21. 4-(3-hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methylmorpholinium Methyl Sulphate

22. 4-(3-hydroxy-3-phenyl-3-(thiophen-2-yl)propyl)-4-methylmorpholin-4-iummethylsulfate

23. Morpholinium, 4-(3-hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methyl-, Methyl Sulfate (1:1)

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 429.6 g/mol
Molecular Formula C19H27NO6S2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass429.12797993 g/mol
Monoisotopic Mass429.12797993 g/mol
Topological Polar Surface Area133 Ų
Heavy Atom Count28
Formal Charge0
Complexity444
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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