chempirical

Flucortolone

C22H29FO4CAS 152-97-6376.47 g/mol

Open in Covalent MOL file
FOOHOHO
AlcoholAlkeneAlkyl halideKetone

Properties

Molecular formula
C22H29FO4
Molar mass
376.47 g/mol
Exact mass
376.2050 Da
Melting point
188 °C
logP
2.64Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2
Stereocentres
R, S, S, S, R, S, S, S, Sin SMILES atom order

Identifiers

CAS number
152-97-6
SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO
InChIKey
GAKMQHDJQHZUTJ-ULHLPKEOSA-N
InChI
InChI=1S/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20-,21+,22+/m1/s1

Weigh it out

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

Names and synonyms

12 names
  • Pregna-1,4-diene-3,20-dione, 6-fluoro-11,21-dihydroxy-16-methyl-, (6α,11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 6α-fluoro-11β,21-dihydroxy-16α-methyl-
  • (6α,11β,16α)-6-Fluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
  • SH 742
  • Fluocortolon
  • Fluocortolone
  • 6α-Fluoro-11β,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione
  • 6α-Fluoro-16α-methyl-δ1-corticosterone
  • 6α-Fluoro-16α-methyl-δ1,4-pregnadiene-11β,21-diol-3,20-dione
  • 6α-Fluoro-16α-methyl-1,4-pregnadiene-11β,21-diol-3,20-dione
  • 16α-Methyl-6α-fluoro-δ1,4-pregnadien-11β,21-diol-3,20-dione
  • Ultralan oral

Work with Flucortolone

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

Diflucortolone2607-06-959 % similar Flunisolide3385-03-354 % similar Methylprednisolone83-43-247 % similar Diflucortolone valerate59198-70-844 % similar (6α,11β)-11,17-Dihydroxy-6-methylpregna-1,4-diene-3,20-dione6870-94-643 % similar 16α-Hydroxyprednisolone13951-70-739 % similar Methylprednisolone acetate53-36-139 % similar Desonide638-94-839 % similar

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

Same formula

Desoximetasone382-67-2 Fluorometholone426-13-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook