Ralfinamide

CAT: 1596-AR-S09341-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-S09341-05Size:150

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CAS Number

133865-88-0

Synonyms

(2S) -2-[[[4-[ (2-Fluorophenyl) methoxy]phenyl]methyl]amino]propanamide; Priralfinamide; Ralfinamide

Molecular Formula

C17H19FN2O2

Molecular Weight

302.35

API Name

Safinamide

Chemical Information

Priralfinamide

Sodium Channel Blocker; structure in first source

CAS Number	133865-88-0
PubChem CID	5745207
IUPAC Name	(2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide
Molecular Formula	C17H19FN2O2
Molecular Weight	302.34
XLogP	2.2
Topological Polar Surface Area	64.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	22
Formal Charge	0
Complexity	346

SMILES

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

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

InChIKey

BHJIBOFHEFDSAU-LBPRGKRZSA-N

Chemical Structure

2D Structure

CAS: 133865-88-0

CID: 5745207

Formula: C17H19FN2O2

MW: 302.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	302.34
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	302.14305602
Monoisotopic Mass	302.14305602
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
Compound Is Canonicalized	Yes