Risperidone Pyrimidinone N-Oxide

CAT: 1596-AR-R01705-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R01705-02Size:25 Units

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CAS Number

1301724-91-3

Synonyms

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

Molecular Formula

C23H27FN4O3

Molecular Weight

426.5

API Name

Risperidone

Chemical Information

Risperidone Pyrimidinone-N-oxide(Risperidone impurity)

CAS Number	1301724-91-3
PubChem CID	56833719
IUPAC Name	3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-1-oxido-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-4-one
Molecular Formula	C23H27FN4O3
Molecular Weight	426.5
XLogP	1.5
Topological Polar Surface Area	78.3
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=[N+]1[O-])CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

InChI

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

InChIKey

KDVKWCIHWLGWLD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1301724-91-3

CID: 56833719

Formula: C23H27FN4O3

MW: 426.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	426.5
XLogP3	1.5
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	78.3 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
AR-R01694-01	Risperidone N-Oxide
AR-R01711-01	Cis-Risperidone N-Oxide
AR-R01710-01	Trans-Risperidone N-Oxide
AR-R11846-01	Trans-Risperidone N-Oxide (Relative Config.)
AR-N01554-01	Nilotinib N-Oxide (Pyrimidine N-Oxide)
AR-R01676-01	Risperidone
AR-R11840-01	Ribociclib N-Oxide (Piperazine N-Oxide)
AR-R11069-01	Risperidone Impurity 30 (4-Fluoro Risperidone)
AR-R11714-01	Rupatadine N-Oxide (Piperidine N-Oxide)
AR-B01299-01	Benzhexol N-Oxide (Trihexyphenidyl N-Oxide)

Catalog	Name
CS-T-61160	Risperidone Pyrimidinone-N-oxide
BCC72491-01	Risperidone pyrimidinone-N-oxide (risperidone impurity)
R525020	Risperidone Pyrimidinone-N-oxide(Risperidone impurity)
IR27739-01	Risperidone N-oxide
CS-T-85591	Risperidone Isoxazole-N-oxide
RM-R191651-01	Trans-Risperidone N-Oxide
CS-P-08300	Cis-Risperidone N-Oxide
CS-EO-00177	Risperidone Trans N-Oxide
RM-R191632-01	Risperidone Impurity 32; Cis-Risperidone N-Oxide
CS-O-45063	Cis-Risperidone N-Oxide Hydrate