chempirical

Hydrocortisone acetate

C23H32O6CAS 50-03-3404.50 g/mol

Open in Covalent MOL file
OOOHOOOH
AlcoholAlkeneEsterKetone

Properties

Molecular formula
C23H32O6
Molar mass
404.50 g/mol
Exact mass
404.2199 Da
Melting point
223 °C (decomposes)
logP
2.35Crippen estimate
Polar surface area
100.9 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
3
Stereocentres
R, S, S, R, S, S, Sin SMILES atom order

Identifiers

CAS number
50-03-3
SMILES
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChIKey
ALEXXDVDDISNDU-JZYPGELDSA-N
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-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

51 names · show all
  • Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11β)-
  • Cortisol acetate
  • Cortisol, 21-acetate
  • (11β)-21-(Acetyloxy)-11,17-dihydroxypregn-4-ene-3,20-dione
  • 21-Acetoxy-11β,17α-dihydroxypregn-4-ene-3,20-dione
  • Cortef acetate
  • Cortril acetate
  • HA
  • Hycortole acetate
  • Hydrin 2
  • Hydrocortisat
  • Hydrocortisone 21-acetate
  • Hydrocortone acetate
  • 17-Hydroxycorticosterone 21-acetate
  • Isopto-hydrocortisone
  • Pabracort
  • 11β,17α,21-Trihydroxypregn-4-ene-3,20-dione 21-acetate
  • Hydroxycorticosterone acetate
  • 21-Acetoxy-11β,17-dihydroxypregn-4-ene-3,20-dione
  • 21-Acetoxy-11β,17-dihydroxypregn-4-en-3,20-dione
  • Hydrocortistab
  • 17α-Hydroxycorticosterone acetate
  • Abbocort
  • Bambicort
  • Berlison F
  • Biocortar
  • Chemysone
  • Cortacream
  • Cortell
  • Wycort
  • Proctocort
  • Velopural
  • Hc 45
  • Lenirit
  • Sigmacort
  • Cortaid
  • Sintotrat
  • Colifoam
  • Cortril acetate AS
  • Colofoam
  • Efcolin
  • CaldeCort
  • Hydrocal
  • Anusol HC
  • Cordes
  • Cortifoam
  • Lanacort
  • NSC 741
  • Corticaine
  • Hydrocort acetate
  • 4-Pregnene-11β,17,21-triol-3,20-dione 21-acetate

Work with Hydrocortisone acetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hydrocortisone hemisuccinate2203-97-676 % similar Cortisol50-23-776 % similar 21-(Acetyloxy)-17-hydroxypregn-4-ene-3,20-dione640-87-976 % similar Hydrocortisone sodium succinate125-04-272 % similar Biocort acetate50-04-471 % similar Hydrocortisone sodium phosphate6000-74-471 % similar Prednisolone acetate52-21-168 % similar Corticosterone acetate1173-26-862 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook