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2D Structure
Also known as: 125-60-0, Fenpiverinium bromide [inn], 1-(3-carbamoyl-3,3-diphenylpropyl)-1-methylpiperidinium bromide, Fenpipramide bromomethylate, Resantin, 36479ua8gl
Molecular Formula
C22H29BrN2O
Molecular Weight
417.4  g/mol
InChI Key
PMAHPMMCPXYARU-UHFFFAOYSA-N
FDA UNII
36479UA8GL

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide;bromide
2.1.2 InChI
InChI=1S/C22H28N2O.BrH/c1-24(16-9-4-10-17-24)18-15-22(21(23)25,19-11-5-2-6-12-19)20-13-7-3-8-14-20;/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3,(H-,23,25);1H
2.1.3 InChI Key
PMAHPMMCPXYARU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C[N+]1(CCCCC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N.[Br-]
2.2 Other Identifiers
2.2.1 UNII
36479UA8GL
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-(3-carbamoyl-3,3-diphenylpropyl)-1-methylpiperidinium Bromide

2. Fenpipramide Methobromide

3. Fenpiverinium

4. Resantin

2.3.2 Depositor-Supplied Synonyms

1. 125-60-0

2. Fenpiverinium Bromide [inn]

3. 1-(3-carbamoyl-3,3-diphenylpropyl)-1-methylpiperidinium Bromide

4. Fenpipramide Bromomethylate

5. Resantin

6. 36479ua8gl

7. 1-(4-amino-4-oxo-3,3-diphenylbutyl)-1-methylpiperidinium Bromide

8. 4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide;bromide

9. Hoechst 12494

10. Dsstox_cid_26484

11. Dsstox_rid_81655

12. Dsstox_gsid_46484

13. Fenpiverinium Bromide (inn)

14. 12494 Hoechst

15. Cas-125-60-0

16. Bromuro De Fempiverinio [inn-spanish]

17. Fenpiverinii Bromidum

18. Bromuro De Fempiverinio

19. Bromure De Fenpiverinium

20. Fenpiverinii Bromidum [inn-latin]

21. Ncgc00164621-01

22. Einecs 204-744-9

23. U 0385

24. Bromure De Fenpiverinium [inn-french]

25. Unii-36479ua8gl

26. Fenpiveriniumbromid

27. Diphenyl-piperidino-aethyl-acetamid-brommethylat [german]

28. 1-((3-carbamoyl-3,3-diphenyl)propyl)-1-methylpiperidinium Bromid

29. Diphenyl-piperidino-aethyl-acetamid-brommethylat

30. Schembl23654

31. Fenpiverinium Bromide- Bio-x

32. Mls001423990

33. Chembl2106138

34. Dtxsid0046484

35. Fenpiverinium Bromide [mi]

36. Hms2051k06

37. Hms3393g04

38. Tox21_112240

39. Piperidinium, 1-(3-carbamoyl-3,3-diphenylpropyl)-1-methyl-, Bromide

40. Fenpiverinium Bromide [mart.]

41. Akos030239816

42. Fenpiverinium Bromide [who-dd]

43. Piperidinium, 1-(4-amino-4-oxo-3,3-diphenylbutyl)-1-methyl-, Bromide

44. Tox21_112240_1

45. Ccg-100844

46. Nc00084

47. Ncgc00164621-02

48. Bf164453

49. Smr000469284

50. Ft-0626404

51. D07070

52. Q27256524

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 417.4 g/mol
Molecular Formula C22H29BrN2O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass416.14633 g/mol
Monoisotopic Mass416.14633 g/mol
Topological Polar Surface Area43.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity411
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2