Paliperidone

CAT: 1596-AR-R01678-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R01678-02Size:25 Units

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CAS Number

144598-75-4

Synonyms

3- (2- (4- (6-fluorobenzo[d]isoxazol-3-yl) piperidin-1-yl) ethyl) -9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one;3-[2-[4- (6-Fluoro-1,2-benzisoxazol-3-yl) -1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one; 9-Hydroxyrisperidone; Risperidone Imp. C (EP) ; 9-Hydroxy Risperidone; Risperidone EP Impurity C

Molecular Formula

C23H27FN4O3

Molecular Weight

426.49

API Name

Paliperidone

Chemical Information

Paliperidone

3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is a member of the class of pyridopyrimidines that is 9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2. It is a secondary alcohol, an organofluorine compound, a pyridopyrimidine, a heteroarylpiperidine and a member of 1,2-benzoxazoles.

CAS Number	144598-75-4
PubChem CID	115237
IUPAC Name	3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-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	82.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	31
Formal Charge	0
Complexity	764

SMILES

CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

InChI

InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3

InChIKey

PMXMIIMHBWHSKN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 144598-75-4

CID: 115237

Formula: C23H27FN4O3

MW: 426.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	426.5
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	426.20671890
Monoisotopic Mass	426.20671890
Topological Polar Surface Area	82.2 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	764
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GP3914-250mg	Paliperidone

Paliperidone

Chemical Information

Alternative Products

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