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Timiperone

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INTERMEDIATES

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Chemistry

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Also known as: 57648-21-2, Tolopelon, Dd-3480, 1-(1-(3-(p-fluorobenzoyl)propyl)-4-piperidyl)-2-benzimidazolinethione, 626dq7n19l, Timiperone (jan)

Molecular Formula

C₂₂H₂₄FN₃OS

Molecular Weight

397.5 g/mol

InChI Key

YDLQKLWVKKFPII-UHFFFAOYSA-N

FDA UNII

626DQ7N19L

1 2D Structure

Timiperone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-fluorophenyl)-4-[4-(2-sulfanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]butan-1-one

2.1.2 InChI

InChI=1S/C22H24FN3OS/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)

2.1.3 InChI Key

YDLQKLWVKKFPII-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=S)CCCC(=O)C4=CC=C(C=C4)F

2.2 Other Identifiers

2.2.1 UNII

626DQ7N19L

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4'-fluoro-4-(4-(2-thioxo-1-benzimidazolinyl)piperidino)butyrophenone

2. Dd 3480

2.3.2 Depositor-Supplied Synonyms

1. 57648-21-2

2. Tolopelon

3. Dd-3480

4. 1-(1-(3-(p-fluorobenzoyl)propyl)-4-piperidyl)-2-benzimidazolinethione

5. 626dq7n19l

6. Timiperone (jan)

7. Timiperone [jan]

8. 4-fluoro-4-(4-(2-thioxo-1-benzimidazolinyl)piperidino)butyrophenone

9. 1-butanone, 4-(4-(2,3-dihydro-2-thioxo-1h-benzimidazol-1-yl)-1-piperidinyl)-1-(4-fluorophenyl)-

10. Timiperona

11. Timiperonum

12. Timiperone [inn:jan]

13. Timiperonum [inn-latin]

14. Timiperona [inn-spanish]

15. 1-butanone, 4-[4-(2,3-dihydro-2-thioxo-1h-benzimidazol-1-yl)-1-piperidinyl]-1-(4-fluorophenyl)-

16. Ncgc00182555-01

17. Einecs 260-880-9

18. Dd 3480

19. Unii-626dq7n19l

20. Tolopelon (tn)

21. Timiperone [mi]

22. Timiperone [inn]

23. 4'-fluoro-4-(4-(2-thioxo-1-benzimidazolinyl)piperidino)butyrophenone

24. Butyrophenone, 4'-fluoro-4-(4-(2-thioxobenzimidazol-1-yl)piperidino)-

25. Dsstox_cid_3673

26. 2-benzimidazolinethione, 1-(1-(3-(p-fluorobenzoyl)propyl)-4-piperidyl)-

27. Timiperone [mart.]

28. 1-(4-fluorophenyl)-4-[4-(2-sulfanylidene-3h-benzimidazol-1-yl)piperidin-1-yl]butan-1-one

29. Dsstox_rid_77139

30. Timiperone [who-dd]

31. Dsstox_gsid_23673

32. Schembl145839

33. Chembl2107117

34. Dtxsid9023673

35. Schembl11797177

36. Chebi:135631

37. Zinc3873392

38. Tox21_113628

39. Akos025396887

40. Ncgc00387301-01

41. 4-(4-(2,3-dihydro-2-thioxo-1h-benzimidazol-1-yl)-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone

42. Cas-57648-21-2

43. Ft-0675238

44. D02035

45. 648t212

46. Q7806745

47. 1-[1-(3-(4-fluorobenzoyl)propyl)-4-piperidyl]-2-mercaptobenzimidazole

48. 1-(4-fluorophenyl)-4-[4-(2-thioxo-2,3-dihydro-1h-benzimidazol-1-yl)piperidin-1-yl]butan-1-one

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₄FN₃OS
Molecular Weight	397.5 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	397.16241173 g/mol
Monoisotopic Mass	397.16241173 g/mol
Topological Polar Surface Area	67.7 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	558
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Antiemetics

Drugs used to prevent NAUSEA or VOMITING. (See all compounds classified as Antiemetics.)

Antipsychotic Agents

Agents that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. They are used in SCHIZOPHRENIA; senile dementia; transient psychosis following surgery; or MYOCARDIAL INFARCTION; etc. These drugs are often referred to as neuroleptics alluding to the tendency to produce neurological side effects, but not all antipsychotics are likely to produce such effects. Many of these drugs may also be effective against nausea, emesis, and pruritus. (See all compounds classified as Antipsychotic Agents.)

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