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Chemistry

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Also known as: 35035-05-3, Sesden; sa504, Sa504, Sa-504, Chebi:32226, Sa 504
Molecular Formula
C17H22BrNOS2
Molecular Weight
400.4  g/mol
InChI Key
QTSXMEPZSHLZFF-UHFFFAOYSA-M
FDA UNII
8R9E4766V4

Timepidium Bromide
1 2D Structure

Timepidium Bromide

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(dithiophen-2-ylmethylidene)-5-methoxy-1,1-dimethylpiperidin-1-ium;bromide
2.1.2 InChI
InChI=1S/C17H22NOS2.BrH/c1-18(2)11-13(10-14(12-18)19-3)17(15-6-4-8-20-15)16-7-5-9-21-16;/h4-9,14H,10-12H2,1-3H3;1H/q+1;/p-1
2.1.3 InChI Key
QTSXMEPZSHLZFF-UHFFFAOYSA-M
2.1.4 Canonical SMILES
C[N+]1(CC(CC(=C(C2=CC=CS2)C3=CC=CS3)C1)OC)C.[Br-]
2.2 Other Identifiers
2.2.1 UNII
8R9E4766V4
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 5-methoxy-3-(1-methylpiperidylidene)di-(2-thienyl)methane Methobromide

2. Sa-504

2.3.2 Depositor-Supplied Synonyms

1. 35035-05-3

2. Sesden; Sa504

3. Sa504

4. Sa-504

5. Chebi:32226

6. Sa 504

7. 8r9e4766v4

8. 3-(di-2-thienylmethylene)-5-methoxy-1,1-dimethyl-piperidinium Bromide

9. Dsstox_cid_3672

10. 3-(dithiophen-2-ylmethylidene)-5-methoxy-1,1-dimethylpiperidin-1-ium;bromide

11. Dsstox_rid_77138

12. Dsstox_gsid_23672

13. Timepidium Bromide [inn:jan]

14. Timepidii Bromidum

15. Bromuro De Timepidio

16. Cas-35035-05-3

17. Bromure De Timepidium

18. Timepidii Bromidum [inn-latin]

19. Sa 50 Y

20. Ncgc00181009-01

21. Bromure De Timepidium [inn-french]

22. Bromuro De Timepidio [inn-spanish]

23. Unii-8r9e4766v4

24. N-methyl-5-methoxy-3-piperidylidenedithienylmethane Methobromide

25. 1,1-dimethyl-5-methoxy-3-(dithien-2-ylmethylene)-piperidinium Bromide

26. Piperidinium, 3-(di-2-thienylmethylene)-5-methoxy-1,1-dimethyl-, Bromide

27. Timepidium Bromide Anhydrous

28. Schembl249151

29. Timepidium Bromide [mi]

30. Chembl2107574

31. Dtxsid4023672

32. Timepidium Bromide [inn]

33. Timepidium Bromide [mart.]

34. Timepidium Bromide [who-dd]

35. Tox21_112659

36. Hy-u00184

37. 3-(dithiophen-2-ylmethylidene)-5-methoxy-1,1-dimethylpiperidin-1-ium Bromide

38. Akos025401441

39. Tox21_112659_1

40. Ac-1667

41. Cs-7261

42. Ncgc00181009-02

43. Ft-0729919

44. A822507

45. Q7806492

46. 3-(di-2-thienylmethylidene)-1,1-dimethyl-5-(methyloxy)piperidinium Bromide

47. 3-(dithiophen-2-ylmethylene)-5-methoxy-1,1-dimethylpiperidinium Bromide

48. 3-(dithiophen-2-ylmethylidene)-5-methoxy-1,1-dimethyl-piperidin-1-ium Bromide

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 400.4 g/mol
Molecular Formula C17H22BrNOS2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass399.03262 g/mol
Monoisotopic Mass399.03262 g/mol
Topological Polar Surface Area65.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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

A03AB19 - Timepidium bromide


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