Risperidone Impurity 32; Cis-Risperidone N-Oxide

CAT: 1299-RM-R191632-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R191632-04Size:100 mg

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CAS Number

1894509-66-0

Synonyms

(1s,4r) -4- (6-fluorobenzo[d]isoxazol-3-yl) -1- (2- (2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-3-yl) ethyl) piperidine 1-oxide

Molecular Formula

C23H27FN4O3

Molecular Weight

426.48

Target Alternative Name

Risperidone

Product Name Synonym

(1s,4r) -4- (6-fluorobenzo[d]isoxazol-3-yl) -1- (2- (2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-3-yl) ethyl) piperidine 1-oxide

Chemical Information

Risperidone N-Oxide

CAS Number	1894509-66-0
PubChem CID	71744282
IUPAC Name	3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-oxidopiperidin-1-ium-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular Formula	C23H27FN4O3
Molecular Weight	426.5
XLogP	2.2
Topological Polar Surface Area	76.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	31
Formal Charge	0
Complexity	777

SMILES

CC1=C(C(=O)N2CCCCC2=N1)CC[N+]3(CCC(CC3)C4=NOC5=C4C=CC(=C5)F)[O-]

InChI

InChI=1S/C23H27FN4O3/c1-15-18(23(29)27-10-3-2-4-21(27)25-15)9-13-28(30)11-7-16(8-12-28)22-19-6-5-17(24)14-20(19)31-26-22/h5-6,14,16H,2-4,7-13H2,1H3

InChIKey

CQQKMRDMDXQQRT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1894509-66-0

CID: 71744282

Formula: C23H27FN4O3

MW: 426.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	426.5
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	426.20671890
Monoisotopic Mass	426.20671890
Topological Polar Surface Area	76.8 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	777
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
RM-R191626-01	Risperidone N-Oxide
RM-R191651-01	Trans-Risperidone N-Oxide
RM-R191614-01	Risperidone Impurity 14 (Bicyclo Risperidone)
RM-R191618-01	Risperidone Acetylpiperidine Impurity
RM-R191641-01	Risperidone Impurity 41
RM-R191637-01	Risperidone Impurity 37
RM-R191638-01	Risperidone Impurity 38
RM-R191629-01	Risperidone Impurity 29
RM-R191636-01	Risperidone Impurity 36
RM-R191628-01	Risperidone Impurity 28

Catalog	Name
CS-P-08300	Cis-Risperidone N-Oxide
020683	Risperidone Pyrimidinone-N-oxide (Risperidone impurity)
R525020	Risperidone Pyrimidinone-N-oxide(Risperidone impurity)
CS-O-45063	Cis-Risperidone N-Oxide Hydrate
CS-O-54304	Cis-Risperidone N-Oxide Hydrate Impurity 1
IR27739-01	Risperidone N-oxide
CS-T-85591	Risperidone Isoxazole-N-oxide
CS-T-61160	Risperidone Pyrimidinone-N-oxide
AR-R01705-01	Risperidone Pyrimidinone N-Oxide
CS-EO-00177	Risperidone Trans N-Oxide