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

• 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
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	Thermodynamics of risperidone and solubility in pure organic solvents
Tfus	443.67	K	Risperidone Solid-state characterization and pharmaceuticalcompatibility using thermal and non-thermal techniques

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to risperidone.

Mixtures

• Methyl Alcohol + risperidone
• Ethanol + risperidone
• 1-Propanol + risperidone
• 2-Propanol + risperidone
• 1-Butanol + risperidone
• Acetone + risperidone
• Ethyl Acetate + risperidone
• Toluene + risperidone
• Benzene, (1-methylethyl)- + risperidone

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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