Diflucortolone

C22H28F2O4CAS 2607-06-9394.46 g/mol

Open in Covalent MOL file
FOFOHOHO
AlcoholAlkeneAlkyl halideKetone

Properties

Molecular formula
C22H28F2O4
Molar mass
394.46 g/mol
Exact mass
394.1956 Da
Melting point
242 °C
logP
2.73Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2
Stereocentres
R, S, S, S, S, R, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
2607-06-9
SMILES
C[C@@H]1C[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@]2(C)[C@H]1C(=O)CO
InChIKey
OGPWIDANBSLJPC-RFPWEZLHSA-N
InChI
InChI=1S/C22H28F2O4/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-21(15,3)22(14,24)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19-,20+,21+,22+/m1/s1

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

Names and synonyms

5 names
  • Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,21-dihydroxy-16-methyl-, (6α,11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 6α,9-difluoro-11β,21-dihydroxy-16α-methyl-
  • (6α,11β,16α)-6,9-Difluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
  • 6α,9-Difluoro-11β,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione
  • Difluocortolone

Work with Diflucortolone

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

Desoximetasone382-67-274 % similar Diflucortolone valerate59198-70-874 % similar Flucortolone152-97-659 % similar Flumetasone2135-17-358 % similar Diflorasone2557-49-558 % similar (6Alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione806-29-157 % similar 6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carboxylic acid28416-82-255 % similar Fluocinolone 16,17-acetonide67-73-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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