chempirical

Halcinonide

C24H32ClFO5CAS 3093-35-4454.96 g/mol

Open in Covalent MOL file
OOFOHOClO
AcetalAlcoholAlkeneAlkyl halideEtherKetone

Properties

Molecular formula
C24H32ClFO5
Molar mass
454.96 g/mol
Exact mass
454.1922 Da
Melting point
264 °C (decomposes)
logP
3.89Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2
Stereocentres
R, S, S, S, R, S, S, Sin SMILES atom order

Identifiers

CAS number
3093-35-4
SMILES
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
InChIKey
MUQNGPZZQDCDFT-JNQJZLCISA-N
InChI
InChI=1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • Pregn-4-ene-3,20-dione, 21-chloro-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16α)-
  • Pregn-4-ene-3,20-dione, 21-chloro-9-fluoro-11β,16α,17-trihydroxy-, cyclic 16,17-acetal with acetone
  • 2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregn-4-ene-3,20-dione deriv.
  • (11β,16α)-21-Chloro-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregn-4-ene-3,20-dione
  • SQ 18566
  • Halog
  • Halciderm
  • Alcinonide
  • Adcortin
  • Halcimat

Work with Halcinonide

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

Triamcinolone acetonide76-25-559 % similar Fluoxymesterone76-43-757 % similar Fludrocortisone127-31-156 % similar Fludrocortisone acetate514-36-354 % similar (11β,16α)-21-(Acetyloxy)-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione3870-07-354 % similar (11β)-9-Fluoro-11,17-dihydroxypregn-4-ene-3,20-dione337-03-154 % similar Fluorogestone acetate2529-45-552 % similar Fluocinolone 16,17-acetonide67-73-248 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook