Diflorasone diacetate

C₂₆H₃₂F₂O₇CAS 33564-31-7494.53 g/mol

Open in Covalent MOL file

Alcohol Alkene Alkyl halide Ester Ketone

Properties

Molecular formula: C₂₆H₃₂F₂O₇
Molar mass: 494.53 g/mol
Exact mass: 494.2116 Da
Melting point: 221–223 °C (decomposes)
logP: 2.99Crippen estimate
Polar surface area: 107.0 Å²
H-bond donors / acceptors: 1 / 7
Rotatable bonds: 4
Stereocentres: R, S, S, S, S, S, R, S, Sin SMILES atom order

Hazards

Warning

H312 Harmful in contact with skin95.2% of notifiers
H332 Harmful if inhaled92.9% of notifiers
H351 Suspected of causing cancer92.9% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P271, P280, P302+P352, P304+P340, P317, P318, P321, P362+P364, P405, P501

Identifiers

CAS number

33564-31-7

SMILES

CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

InChIKey

BOBLHFUVNSFZPJ-JOYXJVLSSA-N

InChI

InChI=1S/C26H32F2O7/c1-13-8-17-18-10-20(27)19-9-16(31)6-7-23(19,4)25(18,28)21(32)11-24(17,5)26(13,35-15(3)30)22(33)12-34-14(2)29/h6-7,9,13,17-18,20-21,32H,8,10-12H2,1-5H3/t13-,17-,18-,20-,21-,23-,24-,25-,26-/m0/s1

Weigh it out

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

Names and synonyms

11 names

Pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-, (6α,11β,16β)-
(6α,11β,16β)-17,21-Bis(acetyloxy)-6,9-difluoro-11-hydroxy-16-methylpregna-1,4-diene-3,20-dione
Florone
Diflorasone 17,21-diacetate
Maxiflor
Psorcon
U 34865
Difulal
Diacort
Soriflor
Dermaflor

Work with Diflorasone diacetate

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

Halobetasol propionate66852-54-871 % similar Flumethasone pivalate2002-29-167 % similar Flumetasone2135-17-366 % similar Diflorasone2557-49-566 % similar Epitopic23674-86-465 % similar Fluticasone propionate80474-14-263 % similar 6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carboxylic acid28416-82-263 % similar Fluocinolone 16,17-acetonide67-73-262 % similar

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

Same formula

Fluocinonide356-12-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook