Dexamethasone acetate

C₂₄H₃₁FO₆CAS 1177-87-3434.50 g/mol

Open in Covalent MOL file

Alcohol Alkene Alkyl halide Ester Ketone

Properties

Molecular formula: C₂₄H₃₁FO₆
Molar mass: 434.50 g/mol
Exact mass: 434.2105 Da
Melting point: 263 °C
logP: 2.47Crippen estimate
Polar surface area: 100.9 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 3
Stereocentres: R, R, S, S, S, R, S, Sin SMILES atom order

Hazards

Danger

H317 May cause an allergic skin reaction47.3% of notifiers
H360 May damage fertility or the unborn child49.5% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure22.6% of notifiers

Aggregated from 93 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P272, P280, P302+P352, P318, P319, P321, P333+P317, P362+P364, P405, P501

Identifiers

CAS number

1177-87-3

SMILES

CC(=O)OCC(=O)[C@@]1(O)[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

AKUJBENLRBOFTD-RPRRAYFGSA-N

InChI

InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21+,22+,23+,24+/m1/s1

Weigh it out

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

Names and synonyms

15 names · show all

Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11β,16α)-
Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16α-methyl-, 21-acetate
(11β,16α)-21-(Acetyloxy)-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
Dex-Cortidelt acetate
16α-Methyl-9α-fluoroprednisolone 21-acetate
Dexamethasone 21-acetate
Fortecortin (crystal suspension)
Fortecortin
Decadron LA
Dectancyl
Dexa-cortisyl
Dalalone LA
Decadronal
Dalalone DP
NSC 39471

Work with Dexamethasone acetate

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

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.

Betamethasone acetate987-24-6Diastereomer

Similar compounds

Triamcinolone diacetate67-78-783 % similar Betamethasone378-44-979 % similar Dexamethasone50-02-279 % similar Clobetasol25122-41-278 % similar Dexamethasone palmitate14899-36-677 % similar Betamethasone sodium phosphate151-73-574 % similar Dexamethasone sodium phosphate2392-39-474 % similar Dexamethasone sodium phosphate55203-24-274 % similar

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

Same formula

Flunisolide3385-03-3 Triamcinolone acetonide76-25-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook