Chemical Properties of Nisoldipine (CAS 63675-72-9)

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

388.41

CAS

63675-72-9

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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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