Chemical Properties of NISOLDIPINE

InChI

InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3

InChI Key

VKQFCGNPDRICFG-UHFFFAOYSA-N

Formula

C20H24N2O6

SMILES

COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]

Molecular Weight¹

388.42

Other Names

• 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, methyl 2-methylpropyl ester
• BAY-k 5552
• 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, methyl 2-methylpropyl ester, (.+/-.)-
• (.+/-.)-Isobutyl methyl 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-3,5-pyridinedicarboxylate
• 1,4-Dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid methyl 2-methylpropyl ester
• Baymycard
• Nisocor
• Sular
• Syscor
• Zadipina
• (.+/-.)-Nisoldipine

• C_p,gas : Ideal gas 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).
• 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°	56.93	kJ/mol	Joback Calculated Property
log10WS	-4.92		Relay (1.0) Calculated Property
logPoct/wat	3.202		Crippen Calculated Property
McVol	291.720	ml/mol	McGowan Calculated Property
Inp	[2679.00; 2679.00]
Inp	2679.00		NIST
Inp	2679.00		NIST
Tboil	660.71	K	Relay (1.0) Calculated Property
Tfus	417.13	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	[953.57; 974.34]	J/mol×K	[1078.98; 1331.30]
Cp,gas	953.57	J/mol×K	1078.98	Joback Calculated Property
Cp,gas	961.69	J/mol×K	1121.03	Joback Calculated Property
Cp,gas	967.83	J/mol×K	1163.09	Joback Calculated Property
Cp,gas	971.99	J/mol×K	1205.14	Joback Calculated Property
Cp,gas	974.15	J/mol×K	1247.19	Joback Calculated Property
Cp,gas	974.34	J/mol×K	1289.25	Joback Calculated Property
Cp,gas	972.55	J/mol×K	1331.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to NISOLDIPINE.

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
• Crippen Method
• Joback 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.