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Paliperidone S-Isomer

CAT: 1299-RM-P160412-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P160412-01Size:10 mg
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CAS Number
147663-01-2
Synonyms
(S) -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
Molecular Formula
C23H27FN4O3
Molecular Weight
426.48
Target Alternative Name
Paliperidone
Product Name Synonym
(S) -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

Chemical Information

(S)-paliperidone

(S)-paliperidone is a 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 that is the (S)-enantiomer of paliperidone. It is an enantiomer of a (R)-paliperidone.

CAS Number147663-01-2
PubChem CID9823781
IUPAC Name(9S)-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 FormulaC23H27FN4O3
Molecular Weight426.5
XLogP2.2
Topological Polar Surface Area82.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity764
SMILES
CC1=C(C(=O)N2CCC[C@@H](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/t19-/m0/s1
InChIKey
PMXMIIMHBWHSKN-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of (S)-paliperidone
CAS: 147663-01-2
CID: 9823781
Formula: C23H27FN4O3
MW: 426.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.5
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass426.20671890
Monoisotopic Mass426.20671890
Topological Polar Surface Area82.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity764
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-R01686-01(S) -9-Hydroxy Risperidone ((S) -Paliperidone)
AR-R01708-01(S) -9-Hydroxy Risperidone-d4 ((S) -Paliperidone-d4)
CS-O-42023Voriconazole (S, S) isomer
HY-15532B-01SCH900776 (S-isomer)
406747AZD6482 (S-isomer)
MBS5778670Trichostatin A S-isomer
MBS578560SCH900776 S-isomer
sc-311307CR8, (S) -Isomer
AR-C05354-01Cenobamate (S) -Isomer
AR-S09538-01Suvorexant S-Isomer

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