Chemical Properties of Felodipine (CAS 72509-76-3)

InChI

InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3

InChI Key

RZTAMFZIAATZDJ-UHFFFAOYSA-N

Formula

C18H19Cl2NO4

SMILES

CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl

Molecular Weight¹

384.25

CAS

72509-76-3

Other Names

• (.+/-.) Ethyl methyl 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
• (.+/-.)-Felodipine
• (±) Ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(2,3-dichlorophenyl)-3,5-pyridine dicarboxylate (felodipine)
• 3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, ethyl methyl ester
• 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
• 4-(2,3-Dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinecarboxylic acid ethyl methyl ester
• Agon
• Ethyl methyl 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
• Feloday
• Felodipine (dl form)
• Flodil
• H-154/82
• Hydac
• Munobal
• O3-ethyl O5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Plandil
• Plendil
• Prevex
• Splendil
• dl-Felodipine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	55.08	kJ/mol	Joback Calculated Property
log10WS	-5.68		Aq. Solubility Prediction
logPoct/wat	3.964		Crippen Calculated Property
McVol	270.600	ml/mol	McGowan Calculated Property
Inp	[2718.20; 2718.20]
Inp	2718.20		NIST
Inp	2718.20		NIST
Tboil	647.79	K	Relay (1.0) Calculated Property
Tfus	407.25	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[778.35; 819.43]	J/mol×K	[925.72; 1161.25]
Cp,gas	778.35	J/mol×K	925.72	Joback Calculated Property
Cp,gas	789.27	J/mol×K	964.97	Joback Calculated Property
Cp,gas	798.58	J/mol×K	1004.23	Joback Calculated Property
Cp,gas	806.25	J/mol×K	1043.48	Joback Calculated Property
Cp,gas	812.30	J/mol×K	1082.74	Joback Calculated Property
Cp,gas	816.69	J/mol×K	1121.99	Joback Calculated Property
Cp,gas	819.43	J/mol×K	1161.25	Joback Calculated Property
ΔfusH	[34.80; 35.21]	kJ/mol	[412.30; 414.90]
ΔfusH	34.80	kJ/mol	412.30	NIST
ΔfusH	35.21	kJ/mol	414.90	NIST

Similar Compounds

Find more compounds similar to Felodipine.

Mixtures

• Felodipine + Carbon dioxide

Sources

• Cheméo Relay (1.0)
• 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
• Solubility of Felodipine and Nitrendipine in Liquid and Supercritical Carbon Dioxide by Cloud Point and UV Spectroscopy
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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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