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Chemistry

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Also known as: Visceralgine, 144-12-7, Te 114, Fz2lz7u304, 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol;iodide, Te-114

Molecular Formula

C₁₈H₂₄INO₂S

Molecular Weight

445.4 g/mol

InChI Key

IOFXEUZPIIUQAG-UHFFFAOYSA-M

FDA UNII

FZ2LZ7U304

1 2D Structure

Tiemonium Iodide

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;iodide

2.1.2 InChI

InChI=1S/C18H24NO2S.HI/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;/h2-8,15,20H,9-14H2,1H3;1H/q+1;/p-1

2.1.3 InChI Key

IOFXEUZPIIUQAG-UHFFFAOYSA-M

2.1.4 Canonical SMILES

C[N+]1(CCOCC1)CCC(C2=CC=CC=C2)(C3=CC=CS3)O.[I-]

2.2 Other Identifiers

2.2.1 UNII

FZ2LZ7U304

2.3 Synonyms

2.3.1 MeSH Synonyms

1. N-methyl-n-(3-hydroxy-3-phenyl- 3-(alpha-thienyl)propyl)morpholinium Iodide

2. Visceralgine

2.3.2 Depositor-Supplied Synonyms

1. Visceralgine

2. 144-12-7

3. Te 114

4. Fz2lz7u304

5. 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol;iodide

6. Te-114

7. Visceralgin

8. Tiemozyl

9. 4-(3-hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methyl-morpholinium Iodide

10. Cerfa 114

11. Tiemonio Ioduro

12. Tiemonii Iodidum

13. Tiemonio Ioduro [dcit]

14. Ioduro De Tiemonio

15. Iodure De Tiemonium

16. Tiemonii Iodidum [inn-latin]

17. Iodure De Tiemonium [inn-french]

18. Ioduro De Tiemonio [inn-spanish]

19. Tiemonium Iodide [inn:ban:jan]

20. Einecs 205-616-5

21. Unii-fz2lz7u304

22. 114 C.e.

23. 1-alpha-thienyl-1-phenyl-3-n-methylmorpholinium 1-propanol Iodide

24. 4-(3-hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methylmorpholinium Iodide

25. Iodure De Alpha-thienyl-1 Phenyl-1 N-methyl Morpholinium-3 Propanol-1 [french]

26. Schembl24577

27. Tiemonium Iodide (jan/inn)

28. Tiemonium Iodide [mi]

29. Tiemonium Iodide [inn]

30. Tiemonium Iodide [jan]

31. Chembl2104797

32. Chebi:32224

33. Dtxsid00875078

34. Tiemonium Iodide [mart.]

35. Tiemonium Iodide [who-dd]

36. Iodure De Alpha-thienyl-1 Phenyl-1 N-methyl Morpholinium-3 Propanol-1

37. 3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol Iodide

38. Morpholinium, 4-(3-hydroxy-3-phenyl-3-(2-thienyl)propyl)-4-methyl-, Iodide

39. Db13666

40. D01201

41. Q7801007

42. 4-(3-hydroxy-3-phenyl-3-(thiophen-2-yl)propyl)-4-methylmorpholin-4-ium Iodide

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₄INO₂S
Molecular Weight	445.4 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	445.05725 g/mol
Monoisotopic Mass	445.05725 g/mol
Topological Polar Surface Area	57.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	353
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

4 Pharmacology and Biochemistry

4.1 ATC Code

A - Alimentary tract and metabolism

A03 - Drugs for functional gastrointestinal disorders

A03A - Drugs for functional gastrointestinal disorders

A03AB - Synthetic anticholinergics, quaternary ammonium compounds

A03AB17 - Tiemonium iodide

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