Risperidone Impurity 36

CAT: 1299-RM-R191636-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R191636-01Size:10 mg

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CAS Number

691007-05-3

Synonyms

(Z) - (2,4-difluorophenyl) (piperidin-4-yl) methanone oxime

Molecular Formula

C12H14F2N2O

Molecular Weight

240.25

Target Alternative Name

Risperidone

Product Name Synonym

(Z) - (2,4-difluorophenyl) (piperidin-4-yl) methanone oxime

Chemical Information

(2,4-Difluorophenyl)-4-piperidinylmethanone oxime, (Z)-

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CAS Number	691007-05-3
PubChem CID	10040437
IUPAC Name	(NZ)-N-[(2,4-difluorophenyl)-piperidin-4-ylmethylidene]hydroxylamine
Molecular Formula	C12H14F2N2O
Molecular Weight	240.25
XLogP	2.1
Topological Polar Surface Area	44.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	280

SMILES

C1CNCCC1/C(=N/O)/C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C12H14F2N2O/c13-9-1-2-10(11(14)7-9)12(16-17)8-3-5-15-6-4-8/h1-2,7-8,15,17H,3-6H2/b16-12-

InChIKey

DAQWROFRHWHKFE-VBKFSLOCSA-N

Chemical Structure

2D Structure

CAS: 691007-05-3

CID: 10040437

Formula: C12H14F2N2O

MW: 240.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	240.25
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	240.10741940
Monoisotopic Mass	240.10741940
Topological Polar Surface Area	44.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	280
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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
RM-R191628-01	Risperidone Impurity 28
RM-R191643-01	Risperidone Impurity 43
RM-R191648-01	Risperidone Impurity 48
RM-R191646-01	Risperidone Impurity 46

Catalog	Name
50R-R68808	Risperidone (impurity)
sc-219977	Risperidone Impurity
AR-R11069-01	Risperidone Impurity 30 (4-Fluoro Risperidone)
TRC-R525025-10MG	Risperidone Carboxylate Impurity
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