Betamethasone

C₂₂H₂₉FO₅CAS 378-44-9392.47 g/mol

Open in Covalent MOL file

Alcohol Alkene Alkyl halide Ketone

Properties

Molecular formula: C₂₂H₂₉FO₅
Molar mass: 392.47 g/mol
Exact mass: 392.1999 Da
Melting point: 231–234 °C (decomposes)
Boiling point: 568.2 °C
Water solubility: 66.5 mg/L
logP: 1.90Crippen estimate
Polar surface area: 94.8 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 2
Stereocentres: S, S, S, S, R, S, S, Rin SMILES atom order

Hazards

Danger

H330 Fatal if inhaled51% of notifiers
H360 May damage fertility or the unborn child97.1% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure51% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure47.1% of notifiers
H410 Very toxic to aquatic life with long lasting effects51% of notifiers

Aggregated from 102 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P270, P271, P273, P280, P284, P304+P340, P316, P318, P319, P320, P391, P403+P233, P405, P501

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Dexamethasone50-02-2Diastereomer

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook