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Chemistry

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Also known as: 934240-30-9, Vixotrigine, Cnv1014802, Gsk1014802, Cnv-1014802, Gsk-1014802

Molecular Formula

C₁₈H₁₉FN₂O₂

Molecular Weight

314.4 g/mol

InChI Key

JESCETIFNOFKEU-SJORKVTESA-N

FDA UNII

QQS4J85K6Y

Raxatrigine has been investigated for the treatment of Bipolar Disorder and Bipolar Depression.

1 2D Structure

Vixotrigine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide

2.1.2 InChI

InChI=1S/C18H19FN2O2/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22/h1-8,16-17,21H,9-11H2,(H2,20,22)/t16-,17+/m1/s1

2.1.3 InChI Key

JESCETIFNOFKEU-SJORKVTESA-N

2.1.4 Canonical SMILES

C1CC(NC1C2=CC=C(C=C2)OCC3=CC=CC=C3F)C(=O)N

2.1.5 Isomeric SMILES

C1C[C@H](N[C@H]1C2=CC=C(C=C2)OCC3=CC=CC=C3F)C(=O)N

2.2 Other Identifiers

2.2.1 UNII

QQS4J85K6Y

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Biib074

2. Cnv1014802

3. Vixotrigine

2.3.2 Depositor-Supplied Synonyms

1. 934240-30-9

2. Vixotrigine

3. Cnv1014802

4. Gsk1014802

5. Cnv-1014802

6. Gsk-1014802

7. Biib074

8. Cnv 1014802

9. Biib-074

10. Vixotrigine [usan]

11. Raxatrigine (gsk1014802)

12. (2s,5r)-5-(4-((2-fluorobenzyl)oxy)phenyl)pyrrolidine-2-carboxamide

13. Gsk 1014802

14. Qqs4j85k6y

15. Gsk1014802(cnv1014802)

16. 934240-30-9 (free Base).

17. 2-pyrrolidinecarboxamide, 5-(4-((2-fluorophenyl)methoxy)phenyl)-, (2s,5r)-

18. 2-pyrrolidinecarboxamide, 5-[4-[(2-fluorophenyl)methoxy]phenyl]-, (2s,5r)-

19. Raxatrigine [usan]

20. Gsk2

21. Unii-qqs4j85k6y

22. Biib 074

23. (2s,5r)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide

24. (2s,5r)-5-(4-((2-fluorophenyl)methoxy)phenyl)pyrrolidine-2-carboxamide

25. Biib 074,vixotrigine

26. Vixotrigine [inn]

27. Vixotrigine (usan/inn)

28. Vixotrigine [who-dd]

29. Schembl310473

30. Chembl3544913

31. Dtxsid901031867

32. (5r)-5-(4-{[(2-fluorophenyl)methyl]oxy}phenyl)-l-prolinamide

33. Ex-a2232

34. Bdbm50505255

35. Zinc34892269

36. Akos027324140

37. Db11706

38. Ncgc00386656-01

39. Ac-31665

40. As-56210

41. Hy-12796

42. Cnv1014802; Gsk-1014802; Raxatrigine

43. D11179

44. N11408

45. A857124

46. (5r)-5-(4-[2-fluorobenzyloxy]phenyl)-l-prolinamide

47. Q18386159

48. (2s,5r)-5-(4-(2-fluorobenzyloxy)phenyl)pyrrolidine-2-carboxamide

49. (5r)-5-{4-[(2-fluorobenzyl)oxy]phenyl}-l-prolinamide;cnv1014802

2.4 Create Date

2007-04-30

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₉FN₂O₂
Molecular Weight	314.4 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	314.14305602 g/mol
Monoisotopic Mass	314.14305602 g/mol
Topological Polar Surface Area	64.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	399
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1