Chemical Properties of Nilvadipine (CAS 75530-68-6)

Nilvadipine

InChI
InChI=1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3
InChI Key
FAIIFDPAEUKBEP-UHFFFAOYSA-N
Formula
C19H19N3O6
SMILES
COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1
Molecular Weight1
385.37
CAS
75530-68-6
Other Names
  • 3,5-Pyridinedicarboxylic acid, 2-cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-methyl-5-(1-methylethyl) ester
  • FK 235
  • FR 34235
  • 5-Isopropyl3-methyl 2-cyano-1,4-dihydro-6-methyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate
  • Nivadipine
  • CL-287,389
  • Escor
  • Nivadil
  • SK&F-102,362
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Physical Properties

Property Value Unit Source
ΔfusH° 59.01 kJ/mol Joback Calculated Property
log10WS -4.88 Relay (1.0) Calculated Property
logPoct/wat 2.458 Crippen Calculated Property
McVol 279.010 ml/mol McGowan Calculated Property
Inp 2729.22 NIST
Tboil 653.38 K Relay (1.0) Calculated Property
Tfus 411.32 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 [866.16; 883.46] J/mol×K [1122.24; 1383.83] Show Hide
Cp,gas 879.27 J/mol×K 1122.24 Joback Calculated Property
Cp,gas 882.44 J/mol×K 1165.84 Joback Calculated Property
Cp,gas 883.46 J/mol×K 1209.44 Joback Calculated Property
Cp,gas 882.35 J/mol×K 1253.03 Joback Calculated Property
Cp,gas 879.09 J/mol×K 1296.63 Joback Calculated Property
Cp,gas 873.70 J/mol×K 1340.23 Joback Calculated Property
Cp,gas 866.16 J/mol×K 1383.83 Joback Calculated Property

Similar Compounds

Nitrendipine. Nimodipine. NISOLDIPINE. Nifedipine. Pyridine-3,5-dicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(o-trifluoromethylphenyl)-, diethyl ester. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 1. Poligodial + 3-methoxy-4,5-methylenedioxyamphetamine (R,S) adduct, # 2. Ni-TETMP complex. Benazepril Me. Norcodeine. Morphinan-3,6-«alpha»-diol, 7,8-didehydro-4,5-«alpha»-epoxy-17-methyl-, acetate. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5«alpha»,6«alpha»)-. Hydromorphone, trimethylsilyl ether. 3-propionyl-morphine.

Find more compounds similar to Nilvadipine.

Sources

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