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2D Structure
Also known as: 4630-95-9, Padrin, Riabal, 3-(diphenylmethylene)-1,1-diethyl-2-methylpyrrolidin-1-ium bromide, Pyrodifenium bromide, Pyrrolidinium, 3-(diphenylmethylene)-1,1-diethyl-2-methyl-, bromide
Molecular Formula
C22H28BrN
Molecular Weight
386.4  g/mol
InChI Key
UCGJZJXOPSNTGZ-UHFFFAOYSA-M
FDA UNII
3B7O9ZC520

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-benzhydrylidene-1,1-diethyl-2-methylpyrrolidin-1-ium;bromide
2.1.2 InChI
InChI=1S/C22H28N.BrH/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,18H,4-5,16-17H2,1-3H3;1H/q+1;/p-1
2.1.3 InChI Key
UCGJZJXOPSNTGZ-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CC[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C1C)CC.[Br-]
2.2 Other Identifiers
2.2.1 UNII
3B7O9ZC520
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Padrin

2. Prifinium

3. Pyrodifenium Bromide

2.3.2 Depositor-Supplied Synonyms

1. 4630-95-9

2. Padrin

3. Riabal

4. 3-(diphenylmethylene)-1,1-diethyl-2-methylpyrrolidin-1-ium Bromide

5. Pyrodifenium Bromide

6. Pyrrolidinium, 3-(diphenylmethylene)-1,1-diethyl-2-methyl-, Bromide

7. Prifinium (bromide)

8. 3-(diphenylmethylene)-1-ethyl-2-methylpyrrolidine Ethyl Bromide

9. Chebi:32052

10. 3b7o9zc520

11. 3-benzhydrylidene-1,1-diethyl-2-methylpyrrolidin-1-ium Bromide

12. 3-benzhydrylidene-1,1-diethyl-2-methylpyrrolidin-1-ium;bromide

13. Prifinio Bromuro

14. Prifinio Bromuro [dcit]

15. Prifinii Bromidum

16. Bromuro De Prifinio

17. Bromure De Prifinium

18. Prifinium Bromide [inn:jan]

19. Prifinii Bromidum [inn-latin]

20. Bromure De Prifinium [inn-french]

21. Bromuro De Prifinio [inn-spanish]

22. Ncgc00183859-01

23. Einecs 225-051-8

24. Unii-3b7o9zc520

25. Padrin (tn)

26. 1,1-diethyl-2-methyl-3-diphenylmethylenepyrrolidinium Bromide

27. Dsstox_cid_3508

28. Dsstox_rid_77057

29. Dsstox_gsid_23508

30. Schembl24783

31. Prifinium Bromide (jan/inn)

32. Prifinium Bromide [mi]

33. Prifinium Bromide [inn]

34. Prifinium Bromide [jan]

35. 5-fluoro-5-deoxyuridine

36. Chembl1213353

37. Dtxsid3023508

38. Prifinium Bromide [mart.]

39. Prifinium Bromide [who-dd]

40. Tox21_113295

41. Mfcd00865211

42. Pyrrolidinium, 1,1-diethyl-3-diphenylmethylene-2-methyl-, Bromide

43. Akos015896351

44. Ds-7785

45. Cas-4630-95-9

46. Hy-122086

47. Cs-0081698

48. Ft-0657079

49. D01377

50. A827026

51. A1-01943

52. Q2109656

53. 3-(diphenylmethylidene)-1,1-diethyl-2-methylpyrrolidinium Bromide

54. Pyrrolidinium, 3-(diphenylmethylene)-1,1-diethyl-2-methyl-, Bromide (1:1)

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 386.4 g/mol
Molecular Formula C22H28BrN
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass385.14051 g/mol
Monoisotopic Mass385.14051 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count24
Formal Charge0
Complexity386
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

A03AB18 - Prifinium bromide