Chemical Properties of Nimodipine (CAS 66085-59-4)

InChI

InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3

InChI Key

UIAGMCDKSXEBJQ-UHFFFAOYSA-N

Formula

C21H26N2O7

SMILES

COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1

Molecular Weight¹

418.44

CAS

66085-59-4

Other Names

• 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-methoxyethyl 1-methylethyl ester
• BAY e 9736
• Nimotop
• Isopropyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate
• Admon
• Periplum

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	63.87	kJ/mol	Joback Calculated Property
log10WS	-4.27		Relay (1.0) Calculated Property
logPoct/wat	2.971		Crippen Calculated Property
McVol	311.680	ml/mol	McGowan Calculated Property
Inp	[2840.44; 2840.44]
Inp	2840.44		NIST
Inp	2840.44		NIST
Tfus	384.35	K	Relay (1.0) Calculated Property

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 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	[1025.04; 1036.60]	J/mol×K	[1088.34; 1337.81]
Cp,gas	1025.04	J/mol×K	1088.34	Joback Calculated Property
Cp,gas	1031.23	J/mol×K	1129.92	Joback Calculated Property
Cp,gas	1035.09	J/mol×K	1171.50	Joback Calculated Property
Cp,gas	1036.60	J/mol×K	1213.08	Joback Calculated Property
Cp,gas	1035.75	J/mol×K	1254.65	Joback Calculated Property
Cp,gas	1032.53	J/mol×K	1296.23	Joback Calculated Property
Cp,gas	1026.94	J/mol×K	1337.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Nimodipine.

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.
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