Chemical Properties of claritine

InChI

InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3

InChI Key

JCCNYMKQOSZNPW-UHFFFAOYSA-N

Formula

C22H23ClN2O2

SMILES

CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1

Molecular Weight¹

382.89

Other Names

• ethyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylate
• loratadine

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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 claritine.

Mixtures

• Carbon dioxide + claritine
• Methyl Alcohol + claritine
• Ethanol + claritine
• 2-Propanol + claritine
• 1-Propanol + claritine
• 1-Butanol + claritine
• 1-Pentanol + claritine
• Acetonitrile + claritine
• Acetone + claritine
• Ethyl Acetate + claritine
• Formamide, N,N-dimethyl- + claritine
• Acetonitrile + Methyl Alcohol + claritine
• Acetonitrile + 1-Pentanol + claritine

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
• Solubility measurement of an antihistamine drug (Loratadine) in supercritical carbon dioxide: Assessment of qCPA and PCP-SAFT equations of state
• Thermal behavior and dynamic fragility in amorphous carisoprodol. Correlation between the dynamic and thermodynamic fragilities
• Measurement and Correlation of Solubility of Loratadine in Different Pure Solvents and Binary Mixtures
• 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.