Chemical Properties of Triamcinolone diacetate (CAS 67-78-7)

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)CC2C3CCC4=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
• 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-«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-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)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	44.80	kJ/mol	Joback 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
Tfus	477.80	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[1535.05; 2107.15]	J/mol×K	[1227.25; 1508.97]
Cp,gas	1535.05	J/mol×K	1227.25	Joback Calculated Property
Cp,gas	1606.92	J/mol×K	1274.20	Joback Calculated Property
Cp,gas	1687.03	J/mol×K	1321.16	Joback Calculated Property
Cp,gas	1776.25	J/mol×K	1368.11	Joback Calculated Property
Cp,gas	1875.43	J/mol×K	1415.07	Joback Calculated Property
Cp,gas	1985.45	J/mol×K	1462.02	Joback Calculated Property
Cp,gas	2107.15	J/mol×K	1508.97	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)
• 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
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.