Chemical Properties of Hydrocortisone Acetate (CAS 50-03-3)

Hydrocortisone Acetate

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InChI
InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m1/s1
InChI Key
ALEXXDVDDISNDU-MCHRFJOXSA-N
Formula
C23H32O6
SMILES
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C
Molecular Weight1
404.50
CAS
50-03-3
Other Names
  • 11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl acetate, (11«beta»)-
  • 11«beta»,17«alpha»,21-Trihydroxypregn-4-ene-3,20-dione 21-acetate
  • 11«beta»,17«alpha»-Dihydroxy-21-acetoxypregesterone
  • 17-Hydroxycorticosterone acetate
  • 17-Hydroxycorticosterone-21-acetate
  • 17«alpha»-Hydrocorticosterone-21-acetate
  • 17«alpha»-Hydroxycorticosterone acetate
  • 21-Acetoxy-11«beta»,17-dihydroxypregn-4-en-3,20-dione
  • 21-Acetoxy-11«beta»,17-dihydroxypregn-4-ene-3,20-dione
  • 21-Acetoxy-11«beta»,17«alpha»-dihydroxypregn-4-ene-3,20-dione
  • Abbocort
  • Acetate-AS
  • Aceto-Cort
  • Anusol-HC
  • Bambicort
  • Berlison F
  • Biocortar
  • CaldeCort
  • Carmol HC
  • Chemysone
  • Colifoam
  • Collusul-HC
  • Colofoam
  • Compound F acetate
  • Cordes
  • Cortacream
  • Cortaid
  • Cortef acetate
  • Cortell
  • Cortes
  • Corticosterone, 17-hydroxy-, 21-acetate
  • Cortifoam
  • Cortisol acetate
  • Cortisol, 21-acetate
  • Cortril acetate
  • Cortril acetate-AS
  • Efcolin
  • Eye-Cort
  • Fernisone
  • HA
  • Hc45
  • Hycortole acetate
  • Hydrin-2
  • Hydrocal
  • Hydrocortisat
  • Hydrocortisone 21-acetate
  • Hydrocortistab
  • Hydrocortone acetate
  • Hydrosone
  • Hydroxycorticosterone acetate
  • Hysone-A
  • Isopto-Hydrocortisone
  • Lanacort
  • Lenirit
  • Mysone
  • NSC 741
  • Pabracort
  • Pregn-4-ene-3,20-dione, 11«beta»,17,21-trihydroxy-, 21-acetate
  • Pregn-4-ene-3,20-dione, 21-(acetoxy)-11,17-dihydroxy-, (11-«beta»)-
  • Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11«beta»)-
  • Proctocort
  • Resicort
  • Sigmacort
  • Sintotrat
  • Velopural
  • Wycort
Sources

Physical Properties

Property Value Unit Source
Δf -453.06 kJ/mol Joback Calculated Property
Δfgas -1026.18 kJ/mol Joback Calculated Property
Δfus 34.59 kJ/mol Joback Calculated Property
Δvap 117.38 kJ/mol Joback Calculated Property
logPoct/wat 2.35 Crippen Calculated Property
Pc 1741.91 kPa Joback Calculated Property
Tboil 1147.14 K Joback Calculated Property
Tc 1404.43 K Joback Calculated Property
Tfus 787.34 K Joback Calculated Property
Vc 1.16 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1308.14 J/mol×K 1147.14 Joback Calculated Property
ΔfusH 53.64 kJ/mol 480.0 NIST
ΔfusH 36.95 kJ/mol 496.0 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 2
=CH- (ring) 1
-OH (alcohol) 2
=C< (ring) 1
-CH2- 1
-CH3 3
>C< (ring) 3
>C=O (ring) 1
>CH- (ring) 4
-CH2- (ring) 7

Similar Compounds

Pregn-4-ene-3,20-dione,11beta,17alpha,21-trihydroxy-,21 acetate. Hydrocortamate. 1,4-Pregnadiene-3,20-dione, 11beta,17alpha,21-trihydroxy-, acetate. 11Beta,17alpha-dihydroxy-2beta,21-diacetoxypregn-4-ene-3,20-dione. 11Beta,17alpha-dihydroxy-2alpha,21-diacetoxypregna-4-ene-3,20-dione. 11Beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione. Hydrocortisone. 2Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione. Cortisone Acetate. 4-Pregnene-3,11,20-trione, 17alpha,21-dihydroxy-, 21-acetate. 6Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-doine. 6Alpha,21-diacetoxy-11beta,17alpha-dihydroxypregn-4-ene-3,20-dione. Methylprednisolone. Prednisolone. 17Alpha,21dihydroxy progesterone.

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