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

Triamcinolone

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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
CC12CC(O)C3(F)C(CCC4=CC(=O)C=CC43C)C1CC(O)C2(O)C(=O)CO
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»,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
  • 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
  • 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-
  • 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-
  • Rodinolone
  • SK-Triamcinolone
  • Triam-Tablinen
  • Triamcet
  • Triamcinlon
  • Triamcinolon
  • Tricortale
  • Volon
Sources

Physical Properties

Property Value Unit Source
Δf -687.67 kJ/mol Joback Calculated Property
Δfgas -1187.99 kJ/mol Joback Calculated Property
Δfus 33.87 kJ/mol Joback Calculated Property
Δvap 135.15 kJ/mol Joback Calculated Property
logPoct/wat 0.62 Crippen 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 1.07 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1324.59 J/mol×K 1203.45 Joback Calculated Property
ΔfusH 42.56 kJ/mol 543.0 NIST
ΔfusH 42.56 kJ/mol 543.0 NIST

Molecular Descriptors

Joback and Reid Groups
-F 1
=CH- (ring) 3
-OH (alcohol) 4
=C< (ring) 1
-CH2- 1
-CH3 2
>C< (ring) 4
>C=O (nonring) 1
>CH- (ring) 4
-CH2- (ring) 4
>C=O (ring) 1

Similar Compounds

Dexamethasone. Betamethasone. Prednisolone, 9alpha-fluoro-16alpha-methyl-, acetate. Dexamethasone, disodium phosphate. TRIAMCINOLONE DIACETATE. 9Alpha-fluoro-16alpha-methylprednisolone-21-phosphate disodium salt. Betamethasone dipropionate. Pregn-4-ene-3,20-dione, 9alpha-fluoro-11,17alpha,21-trihydroxy-, 21- acetate. Dexamethasone tetra-TMS. Triamcinolone acetonide. Triamcinolone tetra-TMS. Fluoxymesterone. 17-epi-Fluoxymesterone, 17-TMS. Fluoxymesterone ditms. 6.beta.-Hydroxy-Fluoxymesterone, bis-TMS.

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