- InChI
- InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m1/s1
- InChI Key
- VPGRYOFKCNULNK-LCDLLCBDSA-N
- Formula
- C23H32O4
- SMILES
-
CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=
O)CCC4(C)C3CCC12C - Molecular Weight1
- 372.50
- CAS
- 56-47-3
- Other Names
-
- 11-Deoxycorticosterone 21-acetate
- 11-Deoxycorticosterone acetate
- 11-Desoxycorticosterone acetate
- 21-Acetoxy-3,20-diketopregn-4-ene
- 21-Acetoxypregn-4-en-3,20-dione
- 21-Acetoxypregn-4-ene-3,20-dione
- 21-Acetyloxypregn-4-ene-3,20-dione
- 21-Hydroxypregn-4-ene-3,20-dione 21-acetate
- 21-Hydroxypregn-4-ene-3,20-dione acetate
- 4-Pregnene-3,20-dione 21-acetate
- 4-Pregnene-3,20-dione-21-ol acetate
- Arcort
- Bio-Corten
- Cortacet
- Cortate
- Cortenil
- Cortesan
- Cortexone acetate
- Corticosterone, deoxy-, acetate
- Cortifar
- Cortigen
- Cortinaq
- Cortiron
- Cortivis
- Cortixyl
- DCA
- DOC acetate
- DOCA
- Decorten
- Decortin
- Decorton
- Decosteron
- Decosterone
- Decostrate
- Deoxycorticosterone 21-acetate
- Deoxycorticosterone acetate
- Deoxycortone acetate
- Descornaq
- Descorterone
- Descotone
- Desocort
- Desoxycortone acetate
- Doc-Ac
- Doca acetate
- Docaquosum
- Dorcostrin
- Doxatone
- Doxo
- Doxycamon
- Krinocorts
- Mincortid
- Ocriten
- Ocritena
- Organon's doca acetate
- Percorten
- Percotol
- Pregn-4-ene-3,20-dione, 21-(acetyloxy)-
- Pregn-4-ene-3,20-dione, 21-hydroxy-, acetate
- Primocort
- Primocortan
- Sincortex
- Steraq
- Syncort
- Syncorta
- Syncortyl
- Unidocan
- ω : Acentric Factor.
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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 | 0.6158 | Relay (1.0) Calculated Property | |
| ΔfG° | -166.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -761.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | [-4.63; -4.63] |
|
|
| log10WS | -4.63 | Aq. Solubility Prediction | |
| log10WS | -4.63 | Estimated Solubility | |
| logPoct/wat | 4.267 | Crippen Calculated Property | |
| McVol | 297.770 | ml/mol | McGowan Calculated Property |
| Pc | 1488.44 | kPa | Joback Calculated Property |
| Tboil | 682.73 | K | Relay (1.0) Calculated Property |
| Tc | 960.85 | K | Relay (1.0) Calculated Property |
| Tfus | 420.98 | K | Relay (1.0) Calculated Property |
| Vc | 1.044 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1100.76; 1285.27] | J/mol×K | [967.21; 1213.42] |
|
| Cp,gas | 1100.76 | J/mol×K | 967.21 | Joback Calculated Property |
| Cp,gas | 1128.73 | J/mol×K | 1008.25 | Joback Calculated Property |
| Cp,gas | 1157.35 | J/mol×K | 1049.28 | Joback Calculated Property |
| Cp,gas | 1186.96 | J/mol×K | 1090.32 | Joback Calculated Property |
| Cp,gas | 1217.92 | J/mol×K | 1131.35 | Joback Calculated Property |
| Cp,gas | 1250.57 | J/mol×K | 1172.39 | Joback Calculated Property |
| Cp,gas | 1285.27 | J/mol×K | 1213.42 | Joback Calculated Property |
| ΔfusH | 29.66 | kJ/mol | 430.00 | NIST |
Similar Compounds
Find more compounds similar to Desoxycorticosterone Acetate.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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