Chemical Properties of Triamcinolone Acetonide (CAS 76-25-5)

InChI

InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3

InChI Key

YNDXUCZADRHECN-UHFFFAOYSA-N

Formula

C24H31FO6

SMILES

CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(C(=O)CO)O1

Molecular Weight¹

434.50

CAS

76-25-5

Other Names

• (11«beta»,16«alpha»)-9-Fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
• (11«beta»,16«alpha»)-9-Fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
• 9-Fluoro-11«beta»,16«alpha»,17,21-tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with acetone
• 9-Fluoro-11«beta»,16«alpha»,17,21-tetrahydroxypregna-1,4-diene-3,20-dione-16,17-acetonide
• 9-Fluoro-11«beta»,16«alpha»,17,21-tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with acetone
• 9-Fluoro-11«beta»,16«alpha»,17,21-tetrahydroxypregna-1,4-diene-3,20-dione-16,17-acetonide
• 9-«alpha»-fluoro-11-«beta»,21-dihydroxy-16-«alpha»,17-«alpha»-isopropylidenedioxypregna-1,4-diene-3,20-dione
• 9-«alpha»-fluoro-11-«beta»,21-dihydroxy-16-«alpha»,17-«alpha»-isopropylidenedioxypregna-1,4-diene-3,20-dione
• 9«alpha»-Fluoro-11«beta»,21-dihydroxy-16«alpha»,17-isopropylidenedioxy-1,4-pregnadiene,3,20-dione
• 9«alpha»-Fluoro-16«alpha»-17«alpha»-isopropyledenedioxyprednisolone
• 9«alpha»-Fluoro-16«alpha»-17«alpha»-isopropylidenedioxy-«DELTA»1-hydrocortisone
• 9«alpha»-Fluoro-16«alpha»-hydroxyprednisolone 16«alpha»,17«alpha»-acetonide
• 9«alpha»-Fluoro-11«beta»,21-dihydroxy-16«alpha»,17-isopropylidenedioxy-1,4-pregnadiene,3,20-dione
• 9«alpha»-Fluoro-16«alpha»-17«alpha»-isopropyledenedioxyprednisolone
• 9«alpha»-Fluoro-16«alpha»-17«alpha»-isopropylidenedioxy-«DELTA»1-hydrocortisone
• 9«alpha»-Fluoro-16«alpha»-hydroxyprednisolone 16«alpha»,17«alpha»-acetonide
• Acetospan
• Adcortyl
• Adcortyl A
• Aristocort
• Aristocort A
• Aristocort acetonide
• Aristoderm
• Aristogel
• Azmacort
• Coupe-A
• Delphicort
• Extracort
• Flutone
• Ftorocort
• Kenacort-A
• Kenalog
• Kenalone
• Ledercort cream
• Nasacort
• Nasacort AQ
• Omcilon A
• Panolog ointment
• Polcortolon
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11.beta.,16.alpha.)-
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11«beta»,16«alpha»)-
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11«beta»,16«alpha»)-
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11«beta»,16«alpha»,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11«beta»,21-dihydroxy-16«alpha»,17-(isopropylidenedioxy)-
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11«beta»,16«alpha»,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11«beta»,21-dihydroxy-16«alpha»,17-(isopropylidenedioxy)-
• Pregna-1,4-diene-3,20-dione,9alpha-fluoro-11beta,21-dihydroxy-16alpha,17alpha-isopropylidenedioxy-
• Respicort
• Rineton
• Solodelf
• TAC-3
• TAC-40
• Tramacin
• Tri-Nasal
• Triacet
• Triaceton
• Triam
• Triam-Injekt
• Triamcincolone acetonide
• Triamcinolone 16,17-acetonide
• Triamonide 40
• Triamsinolone acetonide
• Tricinolon
• Trymex
• Vetalog
• Volon A
• Volon A 40
• Volonimat

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-505.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1121.41	kJ/mol	Joback Calculated Property
ΔfusH°	41.26	kJ/mol	Joback Calculated Property
ΔvapH°	116.25	kJ/mol	Joback Calculated Property
log10WS	[-4.31; -3.89]
log10WS	-3.89		Aq. Sol...
log10WS	-4.31		Estimat...
logPoct/wat	2.419		Crippen Calculated Property
McVol	314.510	ml/mol	McGowan Calculated Property
Pc	1768.38	kPa	Joback Calculated Property
Tboil	1148.61	K	Joback Calculated Property
Tc	1406.52	K	Joback Calculated Property
Tfus	842.44	K	Joback Calculated Property
Vc	1.194	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1430.15; 2016.79]	J/mol×K	[1148.61; 1406.52]
Cp,gas	1430.15	J/mol×K	1148.61	Joback Calculated Property
Cp,gas	1502.87	J/mol×K	1191.60	Joback Calculated Property
Cp,gas	1584.42	J/mol×K	1234.58	Joback Calculated Property
Cp,gas	1675.70	J/mol×K	1277.57	Joback Calculated Property
Cp,gas	1777.60	J/mol×K	1320.55	Joback Calculated Property
Cp,gas	1891.00	J/mol×K	1363.54	Joback Calculated Property
Cp,gas	2016.79	J/mol×K	1406.52	Joback Calculated Property
ΔfusH	[45.29; 45.29]	kJ/mol	[566.00; 566.00]
ΔfusH	45.29	kJ/mol	566.00	NIST
ΔfusH	45.29	kJ/mol	566.00	NIST

Similar Compounds

Find more compounds similar to Triamcinolone Acetonide.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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