chempirical

(11Beta)-9-Fluoro-11,17-dihydroxypregn-4-ene-3,20-dione

C21H29FO4CAS 337-03-1364.46 g/mol

Open in Covalent MOL file
OHOOFOH
AlcoholAlkeneAlkyl halideKetone

Properties

Molecular formula
C21H29FO4
Molar mass
364.46 g/mol
Exact mass
364.2050 Da
Melting point
275–277 °C
logP
2.90Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1
Stereocentres
R, S, S, S, R, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
337-03-1
SMILES
CC(=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
OFSXGKOMEGSTSE-BPSSIEEOSA-N
InChI
InChI=1S/C21H29FO4/c1-12(23)20(26)9-7-15-16-5-4-13-10-14(24)6-8-18(13,2)21(16,22)17(25)11-19(15,20)3/h10,15-17,25-26H,4-9,11H2,1-3H3/t15-,16-,17-,18-,19-,20-,21-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • (11β)-9-Fluoro-11,17-dihydroxypregn-4-ene-3,20-dione
  • Pregn-4-ene-3,20-dione, 9-fluoro-11,17-dihydroxy-, (11β)-
  • Pregn-4-ene-3,20-dione, 9-fluoro-11β,17-dihydroxy-
  • Progesterone, 9-fluoro-11β,17-dihydroxy-
  • Flugestone
  • 9-Fluoro-11β,17-dihydroxypregn-4-ene-3,20-dione
  • 9-Fluoro-11β,17-dihydroxyprogesterone
  • Fluorogestone
  • NSC 79327

Work with (11Beta)-9-Fluoro-11,17-dihydroxypregn-4-ene-3,20-dione

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

Fludrocortisone127-31-178 % similar Fluorogestone acetate2529-45-574 % similar Fluoxymesterone76-43-774 % similar Fludrocortisone acetate514-36-374 % similar Halcinonide3093-35-454 % similar 17β-Hydroxyprogesterone604-09-152 % similar 17α-Hydroxyprogesterone68-96-252 % similar 21-Deoxycortisone1882-82-251 % similar

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

Elsewhere

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