chempirical

Fluorogestone acetate

C23H31FO5CAS 2529-45-5406.49 g/mol

Open in Covalent MOL file
OOOOFOH
AlcoholAlkeneAlkyl halideEsterKetone

Properties

Molecular formula
C23H31FO5
Molar mass
406.49 g/mol
Exact mass
406.2156 Da
Melting point
267.5 °C
logP
3.47Crippen estimate
Polar surface area
80.7 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2
Stereocentres
R, S, S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
2529-45-5
SMILES
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChIKey
JKQQZJHNUVDHKP-FQJIPJFPSA-N
InChI
InChI=1S/C23H31FO5/c1-13(25)22(29-14(2)26)10-8-17-18-6-5-15-11-16(27)7-9-20(15,3)23(18,24)19(28)12-21(17,22)4/h11,17-19,28H,5-10,12H2,1-4H3/t17-,18-,19-,20-,21-,22-,23-/m0/s1

Weigh it out

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

Names and synonyms

17 names · show all
  • Pregn-4-ene-3,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-, (11β)-
  • Pregn-4-ene-3,20-dione, 9-fluoro-11β,17-dihydroxy-, 17-acetate
  • Progesterone, 9-fluoro-11β,17-dihydroxy-, 17-acetate
  • (11β)-17-(Acetyloxy)-9-fluoro-11-hydroxypregn-4-ene-3,20-dione
  • SC 9880
  • 17α-Acetoxy-9α-fluoro-11β-hydroxy-pregn-4-ene-3,20-dione
  • Cronolone
  • 9α-Fluoro-11β-hydroxy-17α-acetoxypregn-4-ene-3,20-dione
  • Flurogestone acetate
  • 17α-Acetoxy-9α-fluoro-11β-hydroxyprogesterone
  • Gyncro-mate
  • FGA
  • Chronogest
  • Syncro-mate
  • Flugestone acetate
  • Synchronate
  • NSC 65411

Work with Fluorogestone 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

(11β)-9-Fluoro-11,17-dihydroxypregn-4-ene-3,20-dione337-03-174 % similar Fludrocortisone acetate514-36-368 % similar Fluoxymesterone76-43-766 % similar Fludrocortisone127-31-163 % similar Fluorometholone acetate3801-06-754 % similar 17-Acetoxyisopregn-4-ene-3,20-dione17308-02-054 % similar Progesterone acetate302-23-854 % similar Halcinonide3093-35-452 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook