- InChI
- InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)
- InChI Key
- DBEPLOCGEIEOCV-UHFFFAOYSA-N
- Formula
- C23H36N2O2
- SMILES
-
CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=
O)C=CC4(C)C3CCC12C - Molecular Weight1
- 372.54
- CAS
- 98319-26-7
- Other Names
-
- 4-Azaandrost-1-ene-17-carboxamide, N-(1,1-dimethylethyl)-3-oxo-, (5«alpha»,17«beta»)-
- N-tert-Butyl-3-oxo-4-aza-5«alpha»-androst-1-ene-17«beta»-carboxamide
- Chibro-Proscar
- Finastid
- MK-906
- Propecia
- Proscar
- Prostide
- Finpecia
- (5«alpha»,17«beta»)-N-(1,1-dimethylethyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide (finasteride)
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 249.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -398.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.26 | kJ/mol | Joback Calculated Property |
| log10WS | -5.59 | Crippen Calculated Property | |
| logPoct/wat | 3.814 | Crippen Calculated Property | |
| McVol | 310.290 | ml/mol | McGowan Calculated Property |
| Pc | 1480.43 | kPa | Joback Calculated Property |
| Tboil | 976.76 | K | Joback Calculated Property |
| Tc | 1229.98 | K | Joback Calculated Property |
| Tfus | 717.23 | K | Joback Calculated Property |
| Vc | 1.165 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1178.06; 1383.92] | J/mol×K | [976.76; 1229.98] | 
|
| Cp,gas | 1178.06 | J/mol×K | 976.76 | Joback Calculated Property |
| Cp,gas | 1208.67 | J/mol×K | 1018.96 | Joback Calculated Property |
| Cp,gas | 1240.19 | J/mol×K | 1061.17 | Joback Calculated Property |
| Cp,gas | 1273.04 | J/mol×K | 1103.37 | Joback Calculated Property |
| Cp,gas | 1307.66 | J/mol×K | 1145.57 | Joback Calculated Property |
| Cp,gas | 1344.47 | J/mol×K | 1187.78 | Joback Calculated Property |
| Cp,gas | 1383.92 | J/mol×K | 1229.98 | Joback Calculated Property |
| ΔsubH | 143.70 | kJ/mol | 475.50 | NIST |
Similar Compounds
Find more compounds similar to Finasteride.
Sources
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