chempirical

Fludrocortisone

C21H29FO5CAS 127-31-1380.46 g/mol

Open in Covalent MOL file
OHOOHOOHF
AlcoholAlkeneAlkyl halideKetone

Properties

Molecular formula
C21H29FO5
Molar mass
380.46 g/mol
Exact mass
380.1999 Da
Melting point
260–262 °C
logP
1.87Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
2
Stereocentres
S, S, S, R, S, S, Rin SMILES atom order

Identifiers

CAS number
127-31-1
SMILES
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F
InChIKey
AAXVEMMRQDVLJB-BULBTXNYSA-N
InChI
InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1

Weigh it out

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

Names and synonyms

27 names · show all
  • Pregn-4-ene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-, (11β)-
  • Pregn-4-ene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-
  • (11β)-9-Fluoro-11,17,21-trihydroxypregn-4-ene-3,20-dione
  • Alflorone
  • F-COL
  • Florinef
  • Fludrocortone
  • Fluohydrisone
  • Fluohydrocortisone
  • 9α-Fluorocortisol
  • Fluorocortisone
  • 9α-Fluoro-17-hydroxycorticosterone
  • 9α-Fluoro-11β,17α,21-trihydroxy-4-pregnene-3,20-dione
  • 9-Fluorocortisol
  • Fluorocortisol
  • 9-Fluorohydrocortisone
  • 9-Fluoro-11β,17,21-trihydroxypregn-4-ene-3,20-dione
  • F-Cortef
  • Astonin-H
  • Fludrone
  • Fludronef
  • 9α-Fludrocortisone
  • Fluorohydrocortisone
  • 9α-Fluorohydrocortisone
  • Fluodrocortisone
  • 9α-Fluorcortisol
  • NSC 11318

Work with Fludrocortisone

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-dione337-03-178 % similar Fludrocortisone acetate514-36-376 % similar Fluoxymesterone76-43-771 % similar Fluorogestone acetate2529-45-563 % similar Halcinonide3093-35-456 % similar Cortisol50-23-756 % similar 11-Deoxycortisol152-58-954 % similar (6α,11β)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione806-29-153 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook