N-Nitroso Safinamide

CAT: 1596-AR-S11153-01Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-S11153-01Size:50 Units

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CAS Number

2657645-00-4

Synonyms

(S) -2- ((4- ((3-Fluorobenzyl) oxy) benzyl) (nitroso) amino) propanamide

Molecular Formula

C17H18FN3O3

Molecular Weight

331.35

API Name

Safinamide

Chemical Information

N-nitroso-safinamide

CAS Number	2657645-00-4
PubChem CID	156772314
IUPAC Name	(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl-nitrosoamino]propanamide
Molecular Formula	C17H18FN3O3
Molecular Weight	331.34
XLogP	2.6
Topological Polar Surface Area	85
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	24
Formal Charge	0
Complexity	416

SMILES

C[C@@H](C(=O)N)N(CC1=CC=C(C=C1)OCC2=CC(=CC=C2)F)N=O

InChI

InChI=1S/C17H18FN3O3/c1-12(17(19)22)21(20-23)10-13-5-7-16(8-6-13)24-11-14-3-2-4-15(18)9-14/h2-9,12H,10-11H2,1H3,(H2,19,22)/t12-/m0/s1

InChIKey

NHMOTQHRSJIDDY-LBPRGKRZSA-N

Chemical Structure

2D Structure

CAS: 2657645-00-4

CID: 156772314

Formula: C17H18FN3O3

MW: 331.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	331.34
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	331.13321961
Monoisotopic Mass	331.13321961
Topological Polar Surface Area	85 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	416
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

Catalog	Name
AR-S01046-01	Safinamide N-oxide impurity
AR-S01045-01	Safinamide N-hydroxy impurity
AR-S01038-01	Safinamide
AR-S09476-01	Safinamide Mesylate
AR-K01829-01	N-Nitroso Rabusertib (N-Nitroso LY2603618)
AR-F10214-01	N-Nitroso Florylpicoxamid (N-Nitroso Adavelt)
AR-S09719-01	N-Nitroso Salbutamol (N-Nitroso Albuterol)
AR-S09852-01	N-Nitroso Salbutamol (N-Nitroso Albuterol)
AR-M04514-01	N-Nitroso Methylergonovine (N-Nitroso Methylergometrine)
AR-S09770-01	N-Nitroso Sacubitrilat (N-Nitroso LBQ657)

Catalog	Name
RM-S061439-01	N-Nitroso-Safinamide
TRC-N703665-50MG	N-Nitroso Safinamide
CS-EO-02716	N-Nitroso Safinamide Acid
CS-O-39045	N-Nitroso Safinamide (Mixture of isomers)
CS-O-57382	N-Nitroso Safinamide Impurity 1
CS-O-39045-1.5ML	N-nitroso-safinamide-100 PPM in Acetonitrile
RM-S061414-01	Safinamide Impurity N
A3784-500	Safinamide