- InChI
- InChI=1S/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-6-5-7-12(8-11)19(22)23/h5-8H,1-4H3
- InChI Key
- WLSSRGYMMSQMGL-UHFFFAOYSA-N
- Formula
- C17H16N2O6
- SMILES
-
COC(=O)c1c(C)nc(C)c(C(=O)OC)c1
-c1cccc([N+](=O)[O-])c1 - Molecular Weight1
- 344.32
- Other Names
-
- Nimodipine M (dehydro-desisopropyl-desmethoxyethyl, methyl ester)
- Nicardipine M (dehydro-desbenzylmethylaminoethyl, methyl ester)
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9014 | Relay (1.0) Calculated Property | |
| ΔfG° | -82.09 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -488.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 107.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.847 | Crippen Calculated Property | |
| McVol | 245.150 | ml/mol | McGowan Calculated Property |
| Pc | 1614.29 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2300.00; 2300.00] |
|
|
| Inp | 2300.00 | NIST | |
| Inp | 2300.00 | NIST | |
| Inp | 2300.00 | NIST | |
| Inp | 2300.00 | NIST | |
| Tboil | 655.83 | K | Relay (1.0) Calculated Property |
| Tc | 976.30 | K | Relay (1.0) Calculated Property |
| Tfus | 426.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.873 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Nitrendipine M (dehydro-desethyl, methyl ester).
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
- McGowan Method
- NIST Webbook
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