Chemical Properties of Triamcinolone (CAS 124-94-7)

InChI

InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13?,14?,15-,16+,18?,19?,20?,21?/m0/s1

InChI Key

GFNANZIMVAIWHM-OCJWOPPKSA-N

Formula

C21H27FO6

SMILES

CC12C=CC(=O)C=C1CCC1C3CC(O)C(O)(C(=O)CO)C3(C)CC(O)C12F

Molecular Weight¹

394.43

CAS

124-94-7

Other Names

• (11«beta»,16«alpha»)-9-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
• (11«beta»,16«alpha»)-9-Fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
• 11«beta»,16«alpha»,17«alpha»,21-Tetrahydroxy-9«alpha»-fluoro-1,4-pregnadiene-3,20-dione
• 11«beta»,16«alpha»,17«alpha»,21-Tetrahydroxy-9«alpha»-fluoro-1,4-pregnadiene-3,20-dione
• 9-Fluoro-11-«beta»,16-«alpha»,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
• 9-Fluoro-11-«beta»,16-«alpha»,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
• 9Alpha-fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione
• 9«alpha»-Fluoro-11«beta»,16«alpha»,17,21-tetrahydroxy-1,4-pregnadiene-3,20-dione
• 9«alpha»-Fluoro-11«beta»,16«alpha»,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
• 9«alpha»-Fluoro-11«beta»,16«alpha»,17«alpha»,21-tetrahydroxypregna-1,4-diene-3,20-dione
• 9«alpha»-Fluoro-16«alpha»-hydroxyprednisolone
• 9«alpha»-Fluoro-11«beta»,16«alpha»,17,21-tetrahydroxy-1,4-pregnadiene-3,20-dione
• 9«alpha»-Fluoro-11«beta»,16«alpha»,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
• 9«alpha»-Fluoro-11«beta»,16«alpha»,17«alpha»,21-tetrahydroxypregna-1,4-diene-3,20-dione
• 9«alpha»-Fluoro-16«alpha»-hydroxyprednisolone
• Adcortyl
• Aristocort
• CL 19823
• Celeste
• Cinolone
• Cinolone-T
• Delphicort
• Fluoxiprednisolone
• Fluoxyprednisolone
• Kenacort
• Kenacort-AG
• Ledercort
• Mycolog
• NSC 13397
• Omicilon
• Polcortolon
• Prednisolone, 9-fluoro-16«alpha»-hydroxy-
• Prednisolone, 9-fluoro-16«alpha»-hydroxy-
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11«beta»,16«alpha»)-
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11,16,17,21-tetrahydroxy-, (11«beta»,16«alpha»)-
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11«beta»,16«alpha»,17,21-tetrahydroxy-
• Pregna-1,4-diene-3,20-dione, 9-fluoro-11«beta»,16«alpha»,17,21-tetrahydroxy-
• Rodinolone
• SK-Triamcinolone
• Triam-Tablinen
• Triamcet
• Triamcinlon
• Triamcinolon
• Tricortale
• Volon

• 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°	-687.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-1187.99	kJ/mol	Joback Calculated Property
ΔfusH°	33.87	kJ/mol	Joback Calculated Property
ΔvapH°	135.15	kJ/mol	Joback Calculated Property
log10WS	[-3.68; -3.48]
log10WS	-3.48		Aq. Sol...
log10WS	-3.68		Estimat...
logPoct/wat	0.620		Crippen Calculated Property
McVol	283.100	ml/mol	McGowan Calculated Property
Pc	2349.64	kPa	Joback Calculated Property
Tboil	1203.45	K	Joback Calculated Property
Tc	1485.89	K	Joback Calculated Property
Tfus	835.29	K	Joback Calculated Property
Vc	1.067	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1324.59; 1919.67]	J/mol×K	[1203.45; 1485.89]
Cp,gas	1324.59	J/mol×K	1203.45	Joback Calculated Property
Cp,gas	1397.84	J/mol×K	1250.52	Joback Calculated Property
Cp,gas	1480.24	J/mol×K	1297.60	Joback Calculated Property
Cp,gas	1572.70	J/mol×K	1344.67	Joback Calculated Property
Cp,gas	1676.14	J/mol×K	1391.75	Joback Calculated Property
Cp,gas	1791.49	J/mol×K	1438.82	Joback Calculated Property
Cp,gas	1919.67	J/mol×K	1485.89	Joback Calculated Property
ΔfusH	[42.56; 42.56]	kJ/mol	[543.00; 543.00]
ΔfusH	42.56	kJ/mol	543.00	NIST
ΔfusH	42.56	kJ/mol	543.00	NIST

Similar Compounds

Find more compounds similar to Triamcinolone.

Sources

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

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