Paliperidone

Molecular Mass: 426.5 g/mol

Formula: C₂₃H₂₇FN₄O₃

Smiles: Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O

Synonymes:

Paliperidone, 144598-75-4, 9-Hydroxyrisperidone, Invega, RO76477, R-76477, Paliperidona, RO-76477, 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-, R 76477, NSC-759623, 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-4H,6H,7H,8H,9H-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-, 838F01T721, DTXSID7049059, (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-tetrahydro-9-hydroxy-2-methyl-, 4H-Pyrido(2,1-a)pyrimidin-4-one, 6,7,8,9-tetrahydro-3-(2-(4-(6-fluro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-9-hydroxy-2-methyl-, paliperidonum, Trevicta, 9 OH risperidone, (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, 3-(2-(4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl)ethyl)-9-hydroxy-2-methyl-4H,6H,7H,8H,9H-pyrido(1,2-a)pyrimidin-4-one, 3-(2-[4-(6-FLUORO-1,2-BENZOXAZOL-3-YL)PIPERIDIN-1-YL]ETHYL)-9-HYDROXY-2-METHYL-4H,6H,7H,8H,9H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE, 9 Hydroxyrisperidone, 9 Hydroxy risperidone, RefChem:56592, CHEBI:82978, DTXCID30210372, N05AX13, R76477, 3-(2-(4-(6-fluoro-3-(1,2-benzisoxazolyl))-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one, 9-Hydroxy-risperidone, C23H27FN4O3, 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-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, MFCD00871802, 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, CHEMBL1621, 6,7,8,9-Tetrahydro-3-(2-(4-(6-fluro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-9-hydroxy-2-methyl-4H-pyrido[2,1-a]pyrimidin-4-one, Paliperidone [INN], 9-hydroxy risperidone, 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one, PALLIPERIDONE, HSDB 8148, RAC 9-HYDROXY RISPERIDONE, UNII-838F01T721, 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, 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, Paliperidone [USAN:INN:BAN:JAN], 144598-75-4 (free base), Invega (TN), MFCD09955571, Paliperidone (Standard), Risperidone-M 9-hydroxy, PALIPERIDONE [MI], PALIPERIDONE [JAN], PALIPERIDONE [USAN], PALIPERIDONE [VANDF], PALIPERIDONE [MART.], JNS-007ER, MLS004773953, PALIPERIDONE [USP-RS], PALIPERIDONE [WHO-DD], SCHEMBL436689, Paliperidone (JAN/USP/INN), GTPL7258, orb1310964, orb3141216, Paliperidone9-hydroxyrisperidone, PALIPERIDONE [EMA EPAR], SCHEMBL29409219, CHEBI:83804, HY-A0019R, Paliperidone - Bio-X trade mark, Paliperidone, >=98% (HPLC), HMS3261B06, HMS3743M09, HMS3887K15, HMS5087B15, PALIPERIDONE [ORANGE BOOK], HY-A0019, MSK10469, **See P141000**, PALIPERIDONE [USP MONOGRAPH], Tox21_500562, BDBM50252513, EBC-13192, HB1798, s1724, AKOS005266713, AKOS016339656, AKOS025392164, AC-1282, CCG-221866, CS-0386, DB01267, FP26725, KS-1279, LP00562, NSC 759623, PB27526, SDCCGSBI-0633730.P001, Risperidone EP Impurity C, Paliperidone, NCGC00186014-01, NCGC00186014-12, NCGC00261247-01, 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, 9-Hydroxyrisperidone, 1mg/ml in Methanol, AS-13860, BP164223, Risperidone EP Impurity C (Paliperidone), SMR001456280, SY026871, Risperidone impurity, 9-hydroxyrisperidone-, 9-Hydroxyrisperidone 1.0 mg/ml in Methanol, P1897, RISPERIDONE IMPURITY C [EP IMPURITY], C21516, D05339, EN300-119503, F358079, L023985, Q423292, SR-02000000862, SR-02000000862-3, BRD-A99888680-001-03-8, BRD-A99888680-001-04-6, Z1521553597, Paliperidone, United States Pharmacopeia (USP) Reference Standard, RISPERIDONE IMPURITY, 9-HYDROXYRISPERIDONE- [USP IMPURITY], (+/-)-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, (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, (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 (9-Hydroxyrisperidone), 3-(2-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[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, 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]pyrimidin4-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, 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, 3-[2-[4-(6-Fluoro-1,2-Benzisoxazol-3-yl)-1-Piperidinyl]Ethyl]-9-Hydroxy-6,7,8,9-Tetrahydro-2-Methyl-4H-Pyrido[1,2-a]-Pyrimidin-4-One, 3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidyl]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-benzoisoxazol-3-yl)-1-piperidinyl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-alpha]pyrimidin-4-one, 4H-yrido[1,2-]yrimidin-4-ne, 3-2-4-(6-luoro-1,2-enzisoxazol-3-l)-1-iperidinyl]thyl]-6,7,8,9-etrahydro-9-ydroxy-2-ethyl-

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1,4-Dioxane	288.15	-	2.115	[353]
1,4-Dioxane	293.15	-	2.98	[353]
1,4-Dioxane	298.15	-	4.144	[353]
1,4-Dioxane	303.15	-	5.699	[353]
1,4-Dioxane	308.15	-	7.82	[353]
1,4-Dioxane	313.15	-	10.51	[353]
1,4-Dioxane	318.15	-	14.24	[353]
1,4-Dioxane	323.15	-	18.57	[353]
1,4-Dioxane	328.15	-	23.94	[353]
1-Butanol	288.15	-	0.421	[353]
1-Butanol	293.15	-	0.5954	[353]
1-Butanol	298.15	-	0.8324	[353]
1-Butanol	303.15	-	1.152	[353]
1-Butanol	308.15	-	1.597	[353]
1-Butanol	313.15	-	2.025	[353]
1-Butanol	318.15	-	2.67	[353]
1-Butanol	323.15	-	3.754	[353]
1-Butanol	328.15	-	5.169	[353]
1-Hexanol	288.15	-	0.2441	[353]
1-Hexanol	293.15	-	0.4112	[353]
1-Hexanol	298.15	-	0.5949	[353]
1-Hexanol	303.15	-	0.8258	[353]
1-Hexanol	308.15	-	1.12	[353]
1-Hexanol	313.15	-	1.563	[353]
1-Hexanol	318.15	-	2.283	[353]
1-Hexanol	323.15	-	3.191	[353]
1-Hexanol	328.15	-	4.138	[353]
1-Pentanol	288.15	-	0.3591	[353]
1-Pentanol	293.15	-	0.5093	[353]
1-Pentanol	298.15	-	0.7214	[353]
1-Pentanol	303.15	-	1.008	[353]
1-Pentanol	308.15	-	1.417	[353]
1-Pentanol	313.15	-	2.141	[353]
1-Pentanol	318.15	-	2.861	[353]
1-Pentanol	323.15	-	3.695	[353]
1-Pentanol	328.15	-	4.892	[353]
1-Propanol	288.15	-	0.4028	[353]
1-Propanol	293.15	-	0.5794	[353]
1-Propanol	298.15	-	0.7548	[353]
1-Propanol	303.15	-	1.207	[353]
1-Propanol	308.15	-	1.673	[353]
1-Propanol	313.15	-	2.188	[353]
1-Propanol	318.15	-	3.11	[353]
1-Propanol	323.15	-	4.25	[353]
1-Propanol	328.15	-	5.908	[353]
Acetone	288.15	-	0.3755	[353]
Acetone	293.15	-	0.5178	[353]
Acetone	298.15	-	0.7251	[353]
Acetone	303.15	-	0.9766	[353]
Acetone	308.15	-	1.327	[353]
Acetone	313.15	-	1.772	[353]
Acetone	318.15	-	2.449	[353]
Acetone	323.15	-	3.088	[353]
Acetone	328.15	-	3.871	[353]
Acetonitrile	288.15	-	0.2009	[353]
Acetonitrile	293.15	-	0.2913	[353]
Acetonitrile	298.15	-	0.4162	[353]
Acetonitrile	303.15	-	0.5865	[353]
Acetonitrile	308.15	-	0.8077	[353]
Acetonitrile	313.15	-	1.128	[353]
Acetonitrile	318.15	-	1.531	[353]
Acetonitrile	323.15	-	2.046	[353]
Acetonitrile	328.15	-	2.705	[353]
Butyl acetate	288.15	-	0.1687	[353]
Butyl acetate	293.15	-	0.2403	[353]
Butyl acetate	298.15	-	0.3379	[353]
Butyl acetate	303.15	-	0.4707	[353]
Butyl acetate	308.15	-	0.6479	[353]
Butyl acetate	313.15	-	0.8912	[353]
Butyl acetate	318.15	-	1.201	[353]
Butyl acetate	323.15	-	1.608	[353]
Butyl acetate	328.15	-	2.156	[353]
Ethanol	288.15	-	0.4831	[353]
Ethanol	293.15	-	0.6761	[353]
Ethanol	298.15	-	0.9367	[353]
Ethanol	303.15	-	1.284	[353]
Ethanol	308.15	-	1.697	[353]
Ethanol	313.15	-	2.418	[353]
Ethanol	318.15	-	3.202	[353]
Ethanol	323.15	-	4.169	[353]
Ethanol	328.15	-	5.552	[353]
Ethyl acetate	288.15	-	0.2609	[353]
Ethyl acetate	293.15	-	0.3675	[353]
Ethyl acetate	298.15	-	0.5123	[353]
Ethyl acetate	303.15	-	0.7071	[353]
Ethyl acetate	308.15	-	0.9611	[353]
Ethyl acetate	313.15	-	1.32	[353]
Ethyl acetate	318.15	-	1.747	[353]
Ethyl acetate	323.15	-	2.341	[353]
Ethyl acetate	328.15	-	3.081	[353]
Isopropanol	288.15	-	0.1487	[353]
Isopropanol	293.15	-	0.2214	[353]
Isopropanol	298.15	-	0.322	[353]
Isopropanol	303.15	-	0.45	[353]
Isopropanol	308.15	-	0.7125	[353]
Isopropanol	313.15	-	0.9744	[353]
Isopropanol	318.15	-	1.457	[353]
Isopropanol	323.15	-	1.956	[353]
Isopropanol	328.15	-	2.692	[353]
Methanol	288.15	-	1.089	[353]
Methanol	293.15	-	1.505	[353]
Methanol	298.15	-	2.008	[353]
Methanol	303.15	-	2.704	[353]
Methanol	308.15	-	3.592	[353]
Methanol	313.15	-	4.759	[353]
Methanol	318.15	-	6.321	[353]
Methanol	323.15	-	8.279	[353]
Methanol	328.15	-	10.64	[353]
Methyl acetate	288.15	-	0.3947	[353]
Methyl acetate	293.15	-	0.544	[353]
Methyl acetate	298.15	-	0.7557	[353]
Methyl acetate	303.15	-	1.041	[353]
Methyl acetate	308.15	-	1.402	[353]
Methyl acetate	313.15	-	1.888	[353]
Methyl acetate	318.15	-	2.607	[353]
Methyl acetate	323.15	-	3.313	[353]
Methyl acetate	328.15	-	4.163	[353]
Propyl acetate	288.15	-	0.2041	[353]
Propyl acetate	293.15	-	0.2901	[353]
Propyl acetate	298.15	-	0.4077	[353]
Propyl acetate	303.15	-	0.5663	[353]
Propyl acetate	308.15	-	0.7779	[353]
Propyl acetate	313.15	-	1.062	[353]
Propyl acetate	318.15	-	1.432	[353]
Propyl acetate	323.15	-	1.918	[353]
Propyl acetate	328.15	-	2.582	[353]
Tetrahydrofuran	288.15	-	2.108	[353]
Tetrahydrofuran	293.15	-	2.89	[353]
Tetrahydrofuran	298.15	-	3.95	[353]
Tetrahydrofuran	303.15	-	5.242	[353]
Tetrahydrofuran	308.15	-	6.902	[353]
Tetrahydrofuran	313.15	-	9.066	[353]
Tetrahydrofuran	318.15	-	11.84	[353]
Tetrahydrofuran	323.15	-	15.8	[353]
Tetrahydrofuran	328.15	-	19.72	[353]

Molecule 3D descriptors

Descriptor	Value
PMI1	1032.2424
PMI2	11992.8915
PMI3	12164.0668
NPR1	0.0849
NPR2	0.9859
RadiusOfGyration	5.4342
InertialShapeFactor	0.0010
Eccentricity	0.9964
Asphericity	0.7694
SpherocityIndex	0.1524
PBF	0.9232