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Also known as: Ralfinamide, 133865-88-0, (s)-2-((4-((2-fluorobenzyl)oxy)benzyl)amino)propanamide, Priralfinamide [inn], Nw-1029, (2s)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide

Molecular Formula

C₁₇H₁₉FN₂O₂

Molecular Weight

302.34 g/mol

InChI Key

BHJIBOFHEFDSAU-LBPRGKRZSA-N

FDA UNII

3LPF0S0GVV

1 2D Structure

Ralfinamide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide

2.1.2 InChI

InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-6-8-15(9-7-13)22-11-14-4-2-3-5-16(14)18/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1

2.1.3 InChI Key

BHJIBOFHEFDSAU-LBPRGKRZSA-N

2.1.4 Canonical SMILES

CC(C(=O)N)NCC1=CC=C(C=C1)OCC2=CC=CC=C2F

2.1.5 Isomeric SMILES

C[C@@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC=CC=C2F

2.2 Other Identifiers

2.2.1 UNII

3LPF0S0GVV

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-(((4-((2-fluorophenyl)methoxy)phenyl)methyl)amino)propanamide

2. Ralfinamide

2.3.2 Depositor-Supplied Synonyms

1. Ralfinamide

2. 133865-88-0

3. (s)-2-((4-((2-fluorobenzyl)oxy)benzyl)amino)propanamide

4. Priralfinamide [inn]

5. Nw-1029

6. (2s)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide

7. (2s)-2-(4-(2-fluorobenzyloxy)benzylamino)propanamide

8. 3lpf0s0gvv

9. Ralfinamida

10. Pnu-0154339e

11. Fce-26742a

12. Ralfinamida [inn-spanish]

13. Unii-3lpf0s0gvv

14. (s)-2-(4-(2-fluorobenzyloxy)benzylamino)propanamide

15. (s)-2-[4-(2-fluorobenzyloxy)benzylamino]propanamide

16. (s)-2-[[4-[(2-fluorobenzyl)oxy]benzyl]amino]propanamide

17. Schembl67328

18. Chembl2107771

19. Dtxsid70158406

20. Bdbm161094

21. Mfcd08272558

22. Zinc72190123

23. Akos016006629

24. Db06649

25. Ncgc00370789-01

26. Ds-18607

27. Hy-101437

28. Cs-0021330

29. F12108

30. A888008

31. (s)-2-[4-(2-fluorobenzyloxy) Benzylamino]propanamide

32. Q21098885

33. (s)-2-[[4-(2-fluorobenzyloxy)benzyl]amino]propanamide

34. 2-(((4-((2-fluorophenyl)methoxy)phenyl)methyl)amino)propanamide

35. Us9051240, (s)-(+)-2-[4-(2-fluorobenzyloxy)-benzylamino]-propanamide

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₉FN₂O₂
Molecular Weight	302.34 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	302.14305602 g/mol
Monoisotopic Mass	302.14305602 g/mol
Topological Polar Surface Area	64.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	346
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

Investigated for use/treatment in pain (acute or chronic).

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