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Chemistry

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Also known as: 845614-11-1, Paliflutine, Rg1678, Ro-4917838, Ro4917838, Rg-1678
Molecular Formula
C21H20F7N3O4S
Molecular Weight
543.5  g/mol
InChI Key
YUUGYIUSCYNSQR-LBPRGKRZSA-N
FDA UNII
Q8L6AN59YY

Bitopertin
Bitopertin has been used in trials studying the treatment of Schizophrenia and Obsessive-Compulsive Disorder.
1 2D Structure

Bitopertin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[4-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-[5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone
2.1.2 InChI
InChI=1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m0/s1
2.1.3 InChI Key
YUUGYIUSCYNSQR-LBPRGKRZSA-N
2.1.4 Canonical SMILES
CC(C(F)(F)F)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)F
2.1.5 Isomeric SMILES
C[C@@H](C(F)(F)F)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)F
2.2 Other Identifiers
2.2.1 UNII
Q8L6AN59YY
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (4-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl)(5-methanesulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)phenyl)methanone

2. Rg 1678

3. Rg-1678

4. Rg1678

2.3.2 Depositor-Supplied Synonyms

1. 845614-11-1

2. Paliflutine

3. Rg1678

4. Ro-4917838

5. Ro4917838

6. Rg-1678

7. R-1678

8. Q8l6an59yy

9. Chembl1171829

10. (s)-(4-(3-fluoro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)(5-(methylsulfonyl)-2-((1,1,1-trifluoropropan-2-yl)oxy)phenyl)methanone

11. Ro-4917939

12. (4-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl)(5-methylsulfonyl-2-(((s)-2,2,2-trifluoro-1-methylethyl)oxy)phenyl)methanone

13. (s)-(4-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl)(5-(methanesulfonyl)-2-(2,2,2-trifluoro-1-methylethoxy)phenyl)methanone

14. [4-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-[5-methylsulfonyl-2-[(2s)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone

15. [4-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl][5-methylsulfonyl-2-[((s)-2,2,2-trifluoro-1-methylethyl)oxy]phenyl]methanone

16. Piperazine, 1-(3-fluoro-5-(trifluoromethyl)-2-pyridinyl)-4-(5-(methylsulfonyl)-2-((1s)-2,2,2-trifluoro-1-methylethoxy)benzoyl)-

17. Paliflutine [inn]

18. Bitopertin [usan:inn]

19. Unii-q8l6an59yy

20. Rg 1678

21. Methanone, (4-(3-fluoro-5-(trifluoromethyl)-2-pyridinyl)-1-piperazinyl)(5-(methylsulfonyl)-2-((1s)-2,2,2-trifluoro-1-methylethoxy)phenyl)-

22. Methanone, [4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl][5-(methylsulfonyl)-2-[(1s)-2,2,2-trifluoro-1-methylethoxy]phenyl]-

23. Ro 4917939

24. Bitopertin [inn]

25. Bitopertin [jan]

26. Bitopertin (jan/usan)

27. Bitopertin [usan]

28. Ro 4917838

29. R 1678

30. Bitopertin [who-dd]

31. Schembl562490

32. Gtpl7546

33. Dtxsid80233556

34. Hms3886d08

35. Bdbm50322423

36. Mfcd18251496

37. S8219

38. Zinc53294258

39. Akos022185256

40. Bcp9001046

41. Ccg-269972

42. Cs-0939

43. Db12426

44. Ncgc00379029-01

45. Ac-33092

46. As-75194

47. Bitopertin (rg1678,ro-4917838)

48. Hy-10809

49. Methanone, (4-(3-fluoro-5-(trifluoromethyl)-2-pyridinyl)-1-piperazinyl)(5-(methylsulfonyl)-2-((1s)-2,2,2-trifluoro-1-methylethoxy)phenyl)-palmitoyl Oligopeptide

50. Methanone, [4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl][5-(methylsulfonyl)-2-[(1s)-2

51. A15021

52. D10186

53. Q4918919

54. (4-(3-fluoro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)(5-(methanesulfonyl)-2-(((2s)-1,1,1-trifluoropropan-2-yl)oxy)phenyl)methanone

55. (4-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl)(5-methanesulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)phenyl)methanone

56. (s)-4-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl]-[5-methanesulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)phenyl]-methanone

57. 1-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-4-(5-methanesulfonyl-2-{[(2s)-1,1,1-trifluoropropan-2-yl]oxy}benzoyl)piperazine

2.4 Create Date
2008-10-13
3 Chemical and Physical Properties
Molecular Weight 543.5 g/mol
Molecular Formula C21H20F7N3O4S
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count5
Exact Mass543.10627444 g/mol
Monoisotopic Mass543.10627444 g/mol
Topological Polar Surface Area88.2 Ų
Heavy Atom Count36
Formal Charge0
Complexity872
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Treatment of schizophrenia


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ABOUT THIS PAGE

Bitopertin Manufacturers

A Bitopertin manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Bitopertin, including repackagers and relabelers. The FDA regulates Bitopertin manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Bitopertin API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Bitopertin Suppliers

A Bitopertin supplier is an individual or a company that provides Bitopertin active pharmaceutical ingredient (API) or Bitopertin finished formulations upon request. The Bitopertin suppliers may include Bitopertin API manufacturers, exporters, distributors and traders.

Bitopertin GMP

Bitopertin Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Bitopertin GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Bitopertin GMP manufacturer or Bitopertin GMP API supplier for your needs.

Bitopertin CoA

A Bitopertin CoA (Certificate of Analysis) is a formal document that attests to Bitopertin's compliance with Bitopertin specifications and serves as a tool for batch-level quality control.

Bitopertin CoA mostly includes findings from lab analyses of a specific batch. For each Bitopertin CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Bitopertin may be tested according to a variety of international standards, such as European Pharmacopoeia (Bitopertin EP), Bitopertin JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Bitopertin USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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