Chemical Properties of Nitrendipine (CAS 39562-70-4)

InChI

InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3

InChI Key

PVHUJELLJLJGLN-UHFFFAOYSA-N

Formula

C18H20N2O6

SMILES

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

Molecular Weight¹

360.36

CAS

39562-70-4

Other Names

• (.+/-.)-Ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate
• (.+/-.)-Nitrendipine
• 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid ethyl methyl ester
• 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-ethyl 5-methyl ester
• 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, ethyl methyl ester
• 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, ethyl methyl ester, (.+/-.)-
• BAY e 5009
• Bayotensin
• Baypress
• Bylotensin
• Deiten
• Ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate
• Nidrel

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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°	58.44	kJ/mol	Joback Calculated Property
IE	7.38	eV	Relay (1.0) Calculated Property
log10WS	-4.49		Relay (1.0) Calculated Property
logPoct/wat	2.566		Crippen Calculated Property
McVol	263.540	ml/mol	McGowan Calculated Property
Inp	[2659.11; 2659.11]
Inp	2659.11		NIST
Inp	2659.11		NIST
Tboil	645.89	K	Relay (1.0) Calculated Property
Tfus	406.96	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 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	[829.84; 855.71]	J/mol×K	[997.72; 1244.73]
Cp,gas	829.84	J/mol×K	997.72	Joback Calculated Property
Cp,gas	838.76	J/mol×K	1038.89	Joback Calculated Property
Cp,gas	845.81	J/mol×K	1080.06	Joback Calculated Property
Cp,gas	850.99	J/mol×K	1121.23	Joback Calculated Property
Cp,gas	854.29	J/mol×K	1162.39	Joback Calculated Property
Cp,gas	855.71	J/mol×K	1203.56	Joback Calculated Property
Cp,gas	855.26	J/mol×K	1244.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Nitrendipine.

Mixtures

• Nitrendipine + 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
• Crippen Method
• Solubility of Felodipine and Nitrendipine in Liquid and Supercritical Carbon Dioxide by Cloud Point and UV Spectroscopy
• 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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