chempirical

Betamethasone

C22H29FO5CAS 378-44-9392.47 g/mol

Open in Covalent MOL file
OFOHHOOHO
AlcoholAlkeneAlkyl halideKetone

Properties

Molecular formula
C22H29FO5
Molar mass
392.47 g/mol
Exact mass
392.1999 Da
Melting point
231–234 °C (decomposes)
logP
1.90Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
2
Stereocentres
S, S, S, S, R, S, S, Rin SMILES atom order

Identifiers

CAS number
378-44-9
SMILES
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
InChIKey
UREBDLICKHMUKA-DVTGEIKXSA-N
InChI
InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1

Weigh it out

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

Names and synonyms

41 names · show all
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11β,16β)-
  • Dermabet
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16β-methyl-
  • (11β,16β)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
  • Betamethazone
  • Betnelan
  • Betsolan
  • Celestone
  • 9α-Fluoro-16β-methylprednisolone
  • 9α-Fluoro-16β-methyl-1,4-pregnadiene-11β,17α,21-triol-3,20-dione
  • 9-Fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione
  • 9α-Fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione
  • β-Methasone
  • β-Methasone alcohol
  • 9α-Fluoro-11β,17α,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione
  • 9-Fluoro-16β-methylprednisolone
  • Betacorlan
  • Rinderon
  • Betacortril
  • Celestene
  • Betapredol
  • Cidoten
  • Betasolon
  • Desacort-beta
  • Rinderon A
  • Bedifos
  • Celeston
  • Colircusi betamida
  • Bifas
  • Flubenisolone
  • Visubeta
  • Becort
  • Sch 4831
  • NSC 39470
  • Betadexamethasone
  • Celestan
  • Betametasone
  • Flosteron
  • Bethamethasone
  • Betacortil
  • Ethamethasoneb

Work with Betamethasone

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

Triamcinolone124-94-787 % similar Clobetasol25122-41-284 % similar Dexamethasone acetate1177-87-379 % similar Betamethasone acetate987-24-679 % similar Beclomethasone4419-39-078 % similar Flumetasone2135-17-376 % similar Diflorasone2557-49-576 % similar Betamethasone sodium phosphate151-73-572 % similar

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

Same formula

Dexamethasone50-02-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook