chempirical

Flunisolide

C24H31FO6CAS 3385-03-3434.50 g/mol

Open in Covalent MOL file
OFOOHOHOO
AcetalAlcoholAlkeneAlkyl halideEtherKetone

Properties

Molecular formula
C24H31FO6
Molar mass
434.50 g/mol
Exact mass
434.2105 Da
Melting point
245 °C
logP
2.27Crippen estimate
Polar surface area
93.1 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2
Stereocentres
R, S, S, S, R, S, S, S, Sin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
3385-03-3
SMILES
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
InChIKey
XSFJVAJPIHIPKU-XWCQMRHXSA-N
InChI
InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1

Weigh it out

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

Names and synonyms

17 names · show all
  • Pregna-1,4-diene-3,20-dione, 6-fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6α,11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 6α-fluoro-11β,16α,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone
  • 2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregna-1,4-diene-3,20-dione deriv.
  • (6α,11β,16α)-6-Fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
  • 6α-Fluoro-11β,21-dihydroxy-16α,17α-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione
  • Nisolid
  • Soluzione
  • Nasarel
  • Aerobid M
  • Aerobid
  • Bronalide
  • Synaclyn
  • RS 3999
  • Nasalide
  • Lunis
  • Syntaris
  • Rhinalar

Work with Flunisolide

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

Desonide638-94-875 % similar Flurandrenolide1524-88-567 % similar Fluocinolone 16,17-acetonide67-73-261 % similar Budesonide51333-22-355 % similar (22R)-Budesonide51372-29-355 % similar Flucortolone152-97-654 % similar Methylprednisolone83-43-254 % similar Fluocinonide356-12-751 % similar

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

Same formula

Dexamethasone acetate1177-87-3 Triamcinolone acetonide76-25-5 Betamethasone acetate987-24-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook