Chemical Properties of risperidone

InChI

InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3

InChI Key

RAPZEAPATHNIPO-UHFFFAOYSA-N

Formula

C23H27FN4O2

SMILES

Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2

Molecular Weight¹

410.49

Other Names

• 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	[41.87; 43.94]	kJ/mol
ΔfusH°	43.94	kJ/mol	Thermod...
ΔfusH°	41.87	kJ/mol	Risperi...
log10WS	-10.67		Crippen Calculated Property
logPoct/wat	3.590		Crippen Calculated Property
McVol	303.960	ml/mol	McGowan Calculated Property
Tfus	[442.38; 443.67]	K
Tfus	442.38	K	Thermod...
Tfus	443.67	K	Risperi...

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[839.00; 856.00]	J/mol×K	[430.10; 453.00]
T(K) Liquid phase heat capacity (J/mol×K) 840 845 850 855 430 440 450
Cp,liquid	839.00	J/mol×K	430.10	Thermod...
Cp,liquid	842.00	J/mol×K	434.90	Thermod...
Cp,liquid	845.00	J/mol×K	440.00	Thermod...
Cp,liquid	850.00	J/mol×K	445.10	Thermod...
Cp,liquid	854.00	J/mol×K	449.90	Thermod...
Cp,liquid	856.00	J/mol×K	453.00	Thermod...
Cp,solid	[471.00; 647.00]	J/mol×K	[270.10; 409.90]
T(K) Solid phase heat capacity (J/mol×K) 500 550 600 650 300 350 400
Cp,solid	471.00	J/mol×K	270.10	Thermod...
Cp,solid	476.00	J/mol×K	275.00	Thermod...
Cp,solid	480.00	J/mol×K	280.10	Thermod...
Cp,solid	483.00	J/mol×K	284.90	Thermod...
Cp,solid	489.00	J/mol×K	290.10	Thermod...
Cp,solid	495.00	J/mol×K	294.90	Thermod...
Cp,solid	502.00	J/mol×K	300.10	Thermod...
Cp,solid	509.00	J/mol×K	304.90	Thermod...
Cp,solid	516.00	J/mol×K	310.10	Thermod...
Cp,solid	523.00	J/mol×K	314.90	Thermod...
Cp,solid	530.00	J/mol×K	320.10	Thermod...
Cp,solid	537.00	J/mol×K	324.90	Thermod...
Cp,solid	544.00	J/mol×K	330.10	Thermod...
Cp,solid	551.00	J/mol×K	334.90	Thermod...
Cp,solid	558.00	J/mol×K	340.00	Thermod...
Cp,solid	564.00	J/mol×K	345.10	Thermod...
Cp,solid	571.00	J/mol×K	350.00	Thermod...
Cp,solid	578.00	J/mol×K	355.10	Thermod...
Cp,solid	583.00	J/mol×K	359.90	Thermod...
Cp,solid	590.00	J/mol×K	365.00	Thermod...
Cp,solid	597.00	J/mol×K	370.10	Thermod...
Cp,solid	602.00	J/mol×K	375.00	Thermod...
Cp,solid	609.00	J/mol×K	380.10	Thermod...
Cp,solid	615.00	J/mol×K	384.90	Thermod...
Cp,solid	621.00	J/mol×K	390.00	Thermod...
Cp,solid	627.00	J/mol×K	394.90	Thermod...
Cp,solid	634.00	J/mol×K	400.00	Thermod...
Cp,solid	641.00	J/mol×K	405.10	Thermod...
Cp,solid	647.00	J/mol×K	409.90	Thermod...

Similar Compounds

Find more compounds similar to risperidone.

Sources

• Crippen Method
• Crippen Method
• Thermodynamics of risperidone and solubility in pure organic solvents
• Risperidone Solid-state characterization and pharmaceuticalcompatibility using thermal and non-thermal techniques
• McGowan Method

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