chempirical

Clobetasone butyrate

C26H32ClFO5CAS 25122-57-0478.99 g/mol

Open in Covalent MOL file
OOOClOFO
AlkeneAlkyl halideEsterKetone

Properties

Molecular formula
C26H32ClFO5
Molar mass
478.99 g/mol
Exact mass
478.1922 Da
Melting point
90–100 °C
logP
4.70Crippen estimate
Polar surface area
77.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
5
Stereocentres
R, S, S, S, S, R, Sin SMILES atom order

Identifiers

CAS number
25122-57-0
SMILES
CCCC(=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(=O)C[C@@]21C
InChIKey
FBRAWBYQGRLCEK-AVVSTMBFSA-N
InChI
InChI=1S/C26H32ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-19H,5-8,11,13-14H2,1-4H3/t15-,18-,19-,23-,24-,25-,26-/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • Pregna-1,4-diene-3,11,20-trione, 21-chloro-9-fluoro-16-methyl-17-(1-oxobutoxy)-, (16β)-
  • Pregna-1,4-diene-3,11,20-trione, 21-chloro-9-fluoro-17-hydroxy-16β-methyl-, butyrate
  • Butyric acid, ester with 21-chloro-9-fluoro-17-hydroxy-16β-methylpregna-1,4-diene-3,11,20-trione
  • (16β)-21-Chloro-9-fluoro-16-methyl-17-(1-oxobutoxy)pregna-1,4-diene-3,11,20-trione
  • Clobetasone 17-butyrate
  • Molivate
  • Eumovate
  • SN 203
  • Kindavate
  • Emovate
  • GR 2/1214
  • CCl 5537

Work with Clobetasone butyrate

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

Clobetasol propionate25122-46-765 % similar Betamethasone valerate2152-44-560 % similar Betamethasone dipropionate5593-20-454 % similar Beclomethasone dipropionate5534-09-853 % similar Clobetasol25122-41-252 % similar Halobetasol propionate66852-54-852 % similar Mometasone furoate83919-23-752 % similar Dexamethasone palmitate14899-36-647 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook