chempirical

Clobetasol propionate

C25H32ClFO5CAS 25122-46-7466.97 g/mol

Open in Covalent MOL file
OOOClOFOH
AlcoholAlkeneAlkyl halideEsterKetone

Properties

Molecular formula
C25H32ClFO5
Molar mass
466.97 g/mol
Exact mass
466.1922 Da
Melting point
195.5–197 °C
logP
4.10Crippen estimate
Polar surface area
80.7 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4
Stereocentres
R, S, S, S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
25122-46-7
SMILES
CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChIKey
CBGUOGMQLZIXBE-XGQKBEPLSA-N
InChI
InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1

Weigh it out

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

Names and synonyms

21 names · show all
  • Pregna-1,4-diene-3,20-dione, 21-chloro-9-fluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy)-, (11β,16β)-
  • Pregna-1,4-diene-3,20-dione, 21-chloro-9-fluoro-11β,17-dihydroxy-16β-methyl-, 17-propionate
  • (11β,16β)-21-Chloro-9-fluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione
  • 21-Chloro-21-deoxybetamethasone 17-propionate
  • Dermovate
  • Clobetasol 17-propionate
  • CGP 9555
  • Clobesol
  • Temovate
  • Clobederm
  • GR 2/925
  • Dermoxin
  • Dermoxinale
  • Dermoval
  • CCl 4725
  • Karison
  • Clobex
  • Olux
  • Skin cap
  • Olux-E
  • Tenovate

Work with Clobetasol propionate

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

Betamethasone dipropionate5593-20-484 % similar Halobetasol propionate66852-54-878 % similar Betamethasone valerate2152-44-576 % similar Clobetasol25122-41-273 % similar Beclomethasone dipropionate5534-09-871 % similar Clobetasone butyrate25122-57-065 % similar Betamethasone378-44-963 % similar Dexamethasone50-02-263 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook