Virtual Booth

Contact Supplier

Fishfa Biogenics: Renowned Manufacturer, & Exporter of Tacrolimus & Mupirocin API.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

DEVELOPMENTS

12 Drugs in Development

12 Drugs in Development

DIGITAL CONTENT

9 NEWS #PharmaBuzz

media
9 NEWS #PharmaBuzz

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

12DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

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 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 Formula	C₂₁H₂₀F₇N₃O₄S
Molecular Weight	543.5 g/mol
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	5
Exact Mass	543.10627444 g/mol
Monoisotopic Mass	543.10627444 g/mol
Topological Polar Surface Area	88.2 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	872
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Drug Indication

Treatment of schizophrenia

Drugs in Development

FULL SCREEN VIEW Click here to open all results in a new tab [this preview display 10 results]

Digital Content

Create Content with PharmaCompass, ask us

NEWS #PharmaBuzz

ABOUT THIS PAGE

Find Bitopertin manufacturers, exporters & distributors on PharmaCompass

Bitopertin

ACCESS ALL DATA

Browse all information

CHEMISTRY

Discover Molecule Insights

DEVELOPMENTS

12 Drugs in Development

DIGITAL CONTENT

9 NEWS #PharmaBuzz

ACTIVE PHARMA INGREDIENTS

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

12DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

PATENTS & EXCLUSIVITIES

DIGITAL CONTENT

GLOBAL SALES INFORMATION

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

What are you looking for?