N-Nitroso Risperidone EP Impurity M

CAT: 1596-AR-R11068-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R11068-06Size:250 Units

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CAS Number

2416230-38-9

Synonyms

6-fluoro-3- (1-nitrosopiperidin-4-yl) benzo[d]isoxazole; N-Nitroso Paliperidone USP Related Compound B

Molecular Formula

C12H12FN3O2

Molecular Weight

249.25

API Name

Risperidone

Chemical Information

6-Fluoro-3-(1-nitrosopiperidin-4-yl)benzo[d]isoxazole

CAS Number	2416230-38-9
PubChem CID	146155478
IUPAC Name	6-fluoro-3-(1-nitrosopiperidin-4-yl)-1,2-benzoxazole
Molecular Formula	C12H12FN3O2
Molecular Weight	249.24
XLogP	2.3
Topological Polar Surface Area	58.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	310

SMILES

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)N=O

InChI

InChI=1S/C12H12FN3O2/c13-9-1-2-10-11(7-9)18-14-12(10)8-3-5-16(15-17)6-4-8/h1-2,7-8H,3-6H2

InChIKey

PGUKYDMMRNFDCN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2416230-38-9

CID: 146155478

Formula: C12H12FN3O2

MW: 249.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.24
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	249.09135480
Monoisotopic Mass	249.09135480
Topological Polar Surface Area	58.7 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	310
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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-P01108-01	Risperidone EP Impurity M
AR-R11035-01	Risperidone EP Impurity M-d9
AR-R01700-01	Risperidone EP Impurity A
AR-A07966-01	N-Nitroso Azithromycin EP Impurity M
AR-S09725-01	N-Nitroso Salbutamol EP Impurity M
AR-A05362-01	N-Nitroso Paracetamol EP Impurity M
AR-R01704-01	Risperidone EP Impurity B
AR-R01693-01	Risperidone EP Impurity E
AR-R01692-01	Risperidone EP Impurity D
AR-R01697-01	Risperidone EP Impurity K

Catalog	Name
CS-EO-02711	N-Nitroso Risperidone Impurity 1
CS-EO-02712	N-Nitroso Risperidone Impurity 2 (Mixture of Isomers)
020683	Risperidone Pyrimidinone-N-oxide (Risperidone impurity)
R525020	Risperidone Pyrimidinone-N-oxide(Risperidone impurity)
RM-R191632-01	Risperidone Impurity 32; Cis-Risperidone N-Oxide
CS-O-54304	Cis-Risperidone N-Oxide Hydrate Impurity 1
50R-R68808	Risperidone (impurity)
sc-219977	Risperidone Impurity
RM-R191614-01	Risperidone Impurity 14 (Bicyclo Risperidone)
RM-R191641-01	Risperidone Impurity 41