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Paliperidone

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Paliperidone

EINECS 620-493-1
CAS No. 144598-75-4 Density 1.45 g/cm3
PSA 84.39000 LogP 3.01920
Solubility N/A Melting Point 158-160 °C
Formula C23H27FN4O3 Boiling Point 612.3 °C at 760 mmHg
Molecular Weight 426.491 Flash Point 324.1 °C
Transport Information UN 2811 6.1/PG 3 Appearance off white to light orange coloured solid
Safety 45 Risk Codes 25
Molecular Structure Molecular Structure of 144598-75-4 (Paliperidone) Hazard Symbols ToxicT
Synonyms

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-;9-Hydroxyrisperidone;

Article Data 57

Paliperidone Chemical Properties

Product Name: Paliperidone (CAS NO.144598-75-4)

Molecular Formula: C23H27FN4O3
Molecular Weight: 426.48g/mol
Mol File: 144598-75-4.mol
Appearance: Off White to Light Orange Coloured Solid
Melting Point: 158-160°C
Boiling point: 612.32 °C at 760 mmHg
Storage Temperature: Room temp
Flash Point: 324.12 °C
Density: 1.45 g/cm3
Surface Tension: 54.583 dyne/cm
Enthalpy of Vaporization: 95.571 kJ/mol
XLogP3-AA: 2.2
H-Bond Donor: 1
H-Bond Acceptor: 7
Structure Descriptors of Paliperidone (CAS NO.144598-75-4):
  IUPAC Name: (9R)-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
  Canonical SMILES: CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
  Isomeric 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-/m1/s1 
  InChIKey: PMXMIIMHBWHSKN-LJQANCHMSA-N
Product Categories: Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals

Paliperidone History

Paliperidone is an atypical antipsychotic developed by Janssen Pharmaceutica. Invega is an extended release formulation of paliperidone that uses the OROS extended release system to allow for once-daily dosing. Paliperidone (as Invega) was approved by the FDA for the treatment of schizophrenia on December 20, 2006.

Paliperidone Uses

It is indicated for the acute and maintenance treatment of schizophrenia. The drug significantly reduces side-effects present in other anti-psychotic drugs formerly used to treat schizophrenia and bipolar disorder. In short-term studies paliperidone has been shown to be effective, demonstrating improvements in symptom scores, compared with placebo.

Paliperidone Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 65mg/kg (65mg/kg)   Drug Development Research. Vol. 33, Pg. 399, 1994.

Paliperidone Safety Profile

Safety Information of Paliperidone (CAS NO.144598-75-4):
Hazard Codes: TToxic
Risk Statements: 25
R25 :Toxic if swallowed.   
Safety Statements: 45
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2811 6.1/PG 3
RTECS: UV1164720

Paliperidone Specification

 Paliperidone , its CAS NO. is 144598-75-4, the synonyms are (9RS)-3-(2-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-
yl))ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidin-4-one ; 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- ; 9-Hydroxyrisperidone ; Invega ; Paliperidone ; RO76477 ; UNII-838F01T721 .

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