Risperidone Impurity 9

CAT: 1596-AR-R11034-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R11034-01Size:10 Units

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CAS Number

158697-68-8

Synonyms

Ethyl 4- (2,4-difluorobenzoyl) piperidine-1-carboxylate

Molecular Formula

C15H17F2NO3

Molecular Weight

297.30

API Name

Risperidone

Chemical Information

Ethyl 4-(2,4-difluorobenzoyl)piperidine-1-carboxylate

CAS Number	158697-68-8
PubChem CID	29941096
IUPAC Name	ethyl 4-(2,4-difluorobenzoyl)piperidine-1-carboxylate
Molecular Formula	C15H17F2NO3
Molecular Weight	297.30
XLogP	2.5
Topological Polar Surface Area	46.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	383

SMILES

CCOC(=O)N1CCC(CC1)C(=O)C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C15H17F2NO3/c1-2-21-15(20)18-7-5-10(6-8-18)14(19)12-4-3-11(16)9-13(12)17/h3-4,9-10H,2,5-8H2,1H3

InChIKey

DZGWLDPGZXFLAE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 158697-68-8

CID: 29941096

Formula: C15H17F2NO3

MW: 297.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.30
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	297.11764973
Monoisotopic Mass	297.11764973
Topological Polar Surface Area	46.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	383
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-R11069-01	Risperidone Impurity 30 (4-Fluoro Risperidone)
AR-R11041-01	Risperidone Impurity 14
AR-R11043-01	Risperidone Impurity 17
AR-R11044-01	Risperidone Impurity 18
AR-R11057-01	Risperidone Impurity 32
AR-R11059-01	Risperidone Impurity 34
AR-R11062-01	Risperidone Impurity 37
AR-R11042-01	Risperidone Impurity 16
AR-R11049-01	Risperidone Impurity 23
AR-R11052-01	Risperidone Impurity 26

Catalog	Name
50R-R68808	Risperidone (impurity)
sc-219977	Risperidone Impurity
RM-R191614-01	Risperidone Impurity 14 (Bicyclo Risperidone)
RM-R191641-01	Risperidone Impurity 41
RM-R191618-01	Risperidone Acetylpiperidine Impurity
RM-R191637-01	Risperidone Impurity 37
RM-R191638-01	Risperidone Impurity 38
RM-R191629-01	Risperidone Impurity 29
TRC-R525025-10MG	Risperidone Carboxylate Impurity
020683	Risperidone Pyrimidinone-N-oxide (Risperidone impurity)