Safinamide Mesylate

CAT: 1596-AR-S09476-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-S09476-01Size:10 Units

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CAS Number

202825-46-5

Synonyms

(S) -2-[[4-[ (3-Fluorobenzyl) oxy]benzyl]amino]propanamide Methanesulfonate; (2S) - 2-[[[4-[ (3-fluorophenyl) methoxy]phenyl]methyl]amino]propanamide methane sulfonate

Molecular Formula

C17H19FN2O2.CH4O3S

Molecular Weight

302.35; 96.10

API Name

Safinamide

Chemical Information

Safinamide Mesylate

See also: Safinamide (has active moiety).

CAS Number	202825-46-5
PubChem CID	3038502
IUPAC Name	(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic acid
Molecular Formula	C18H23FN2O5S
Molecular Weight	398.5
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	438

SMILES

C[C@@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F.CS(=O)(=O)O

InChI

InChI=1S/C17H19FN2O2.CH4O3S/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14;1-5(2,3)4/h2-9,12,20H,10-11H2,1H3,(H2,19,21);1H3,(H,2,3,4)/t12-;/m0./s1

InChIKey

YKOCHIUQOBQIAC-YDALLXLXSA-N

Chemical Structure

2D Structure

CAS: 202825-46-5

CID: 3038502

Formula: C18H23FN2O5S

MW: 398.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	398.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	398.13117117
Monoisotopic Mass	398.13117117
Topological Polar Surface Area	127 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	438
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	2
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
AR-S01038-01	Safinamide
AR-S01042-01	Safinamide-d4
AR-S01043-01	(R) -Safinamide
AR-S01044-01	Safinamide acid
AR-S09784-01	Safinamide Impurity 18
AR-S09786-01	Safinamide Impurity 19
AR-S09792-01	N-Nitroso Safinamide
AR-S01039-01	Safinamide Impurity 1
AR-S09788-01	Safinamide Impurity 20
AR-S09791-01	Safinamide Impurity 10

Alternative Products

Catalog	Name
A4368-50	Safinamide Mesylate
HY-70057A-01	Safinamide (mesylate)

Safinamide Mesylate

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