chempirical

Fludrocortisone acetate

C23H31FO6CAS 514-36-3422.49 g/mol

Open in Covalent MOL file
OOOHOOFOH
AlcoholAlkeneAlkyl halideEsterKetone

Properties

Molecular formula
C23H31FO6
Molar mass
422.49 g/mol
Exact mass
422.2105 Da
Melting point
233–234 °C
logP
2.44Crippen estimate
Polar surface area
100.9 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
3
Stereocentres
R, S, S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
514-36-3
SMILES
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChIKey
SYWHXTATXSMDSB-GSLJADNHSA-N
InChI
InChI=1S/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,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

19 names · show all
  • Pregn-4-ene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-, (11β)-
  • Pregn-4-ene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-, 21-acetate
  • Corticosterone, 9-fluoro-17-hydroxy-, 21-acetate
  • (11β)-21-(Acetyloxy)-9-fluoro-11,17-dihydroxypregn-4-ene-3,20-dione
  • Alflorone acetate
  • Fludrocortisone 21-acetate
  • 9α-Fluorohydrocortisone 21-acetate
  • 9α-Fluoro-11β,17α,21-trihydroxypregn-4-ene-3,20-dione 21-acetate
  • U 4845
  • 9α-Fluorocortisol acetate
  • 9α-Fluorohydrocortisone acetate
  • Fluorocortisol acetate
  • Cortineff
  • Scherofluron
  • 9-Fluorohydrocortisone acetate
  • Fluorohydrocortisone acetate
  • 9α-Fluorocortisol 21-acetate
  • NSC 15186
  • Fluorhydrocortisone acetate

Work with Fludrocortisone 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

Fludrocortisone127-31-176 % similar (11β)-9-Fluoro-11,17-dihydroxypregn-4-ene-3,20-dione337-03-174 % similar Isoflupredone acetate338-98-769 % similar Fluorogestone acetate2529-45-568 % similar Fluoxymesterone76-43-765 % similar Hydrocortisone acetate50-03-359 % similar 21-(Acetyloxy)-17-hydroxypregn-4-ene-3,20-dione640-87-957 % similar Biocort acetate50-04-456 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook