- InChI
- InChI=1S/C25H31FO8/c1-13(27)33-12-20(31)25(32)21(34-14(2)28)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30,32H,5-6,10-12H2,1-4H3
- InChI Key
- XGMPVBXKDAHORN-UHFFFAOYSA-N
- Formula
- C25H31FO8
- SMILES
-
CC(=O)OCC(=O)C1(O)C(OC(C)=O)CC
2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O )CC21C - Molecular Weight1
- 478.51
- CAS
- 67-78-7
- Other Names
-
- (11«beta»,16«alpha»)-16,21-Bis(acetyloxy)-9-fluoro-11,17-dihydroxypregna-1,4-diene-3,20-dione
- (11«beta»,16«alpha»)-16,21-Bis(acetyloxy)-9-fluoro-11,17-dihydroxypregna-1,4-diene-3,20-dione
- 1.6alpha.-Hydroxy-9«alpha»-fluoroprednisolone diacetate
- 1.6alpha.-Hydroxy-9«alpha»-fluoroprednisolone diacetate
- 9-Fluoro-11-«beta»,16-«alpha»,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 16,21-diacetate
- 9-Fluoro-11-«beta»,16-«alpha»,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 16,21-diacetate
- 9-«alpha»-Fluoro-16-«alpha»-hydroxyprednisolone diacetate
- 9-«alpha»-Fluoro-16-«alpha»-hydroxyprednisolone diacetate
- Aristocort Forte
- Aristocort Parenterals
- Aristocort diacetate
- Aristocort diacetate forte
- Aristocort forte parenteral
- Aristocort syrup
- CINO-40
- Cenacort
- Kenacort diacetate syrup
- Kenacourt
- Orion
- Polcortolon
- Pregna-1,4-diene-2,20-dione, 9-fluoro-11-«beta»,16-«alpha»,17,21-tetrahydroxy-, 16,21-diacetate
- Pregna-1,4-diene-2,20-dione, 9-fluoro-11-«beta»,16-«alpha»,17,21-tetrahydroxy-, 16,21-diacetate
- Pregna-1,4-diene-3,20-dione, 16,21-bis(acetyloxy)-9-fluoro-11,17-dihydroxy-, (11«beta»,16«alpha»)-
- Pregna-1,4-diene-3,20-dione, 16,21-bis(acetyloxy)-9-fluoro-11,17-dihydroxy-, (11«beta»,16«alpha»)-
- TAC-D
- Tedarol
- Tracilon
- Triamcinolone 16,21-diacetate
- Triamolone 40
- [17-(2-acetyloxyacetyl)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-16-yl] acetate
- triamcinolone 16-«alpha»,21-di(acetate)
- triamcinolone 16-«alpha»,21-di(acetate)
- 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 | 0.8624 | Relay (1.0) Calculated Property | |
| ΔfG° | -848.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1485.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 164.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | [-4.13; -4.13] |
|
|
| log10WS | -4.13 | Aq. Solubility Prediction | |
| log10WS | -4.13 | Estimated Solubility | |
| logPoct/wat | 1.762 | Crippen Calculated Property | |
| McVol | 342.600 | ml/mol | McGowan Calculated Property |
| Pc | 1551.22 | kPa | Joback Calculated Property |
| Tboil | 706.28 | K | Relay (1.0) Calculated Property |
| Tc | 1035.37 | K | Relay (1.0) Calculated Property |
| Tfus | 484.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.212 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1597.13; 2264.08] | J/mol×K | [1263.19; 1556.54] |
|
| Cp,gas | 1597.13 | J/mol×K | 1263.19 | Joback Calculated Property |
| Cp,gas | 1680.64 | J/mol×K | 1312.08 | Joback Calculated Property |
| Cp,gas | 1773.93 | J/mol×K | 1360.97 | Joback Calculated Property |
| Cp,gas | 1877.96 | J/mol×K | 1409.87 | Joback Calculated Property |
| Cp,gas | 1993.68 | J/mol×K | 1458.76 | Joback Calculated Property |
| Cp,gas | 2122.07 | J/mol×K | 1507.65 | Joback Calculated Property |
| Cp,gas | 2264.08 | J/mol×K | 1556.54 | Joback Calculated Property |
| ΔfusH | [38.31; 38.31] | kJ/mol | [508.00; 508.00] |
|
| ΔfusH | 38.31 | kJ/mol | 508.00 | NIST |
| ΔfusH | 38.31 | kJ/mol | 508.00 | NIST |
Similar Compounds
Find more compounds similar to Triamcinolone diacetate.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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