chempirical

Desonide

C24H32O6CAS 638-94-8416.51 g/mol

Open in Covalent MOL file
OOOHOHOO
AcetalAlcoholAlkeneEtherKetone

Properties

Molecular formula
C24H32O6
Molar mass
416.51 g/mol
Exact mass
416.2199 Da
Melting point
274 °C
logP
2.33Crippen estimate
Polar surface area
93.1 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2
Stereocentres
R, S, S, R, S, S, S, Sin SMILES atom order

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P362+P364, P501

Identifiers

CAS number
638-94-8
SMILES
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
InChIKey
WBGKWQHBNHJJPZ-LECWWXJVSA-N
InChI
InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,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

24 names · show all
  • Pregna-1,4-diene-3,20-dione, 11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 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.
  • (11β,16α)-11,21-Dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
  • 16α-Hydroxyprednisolone 16α,17α-acetonide
  • Prednacinolone
  • 16α-Hydroxyprednisolone acetonide
  • 11β,16α,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione 16,17-acetonide
  • Tridesilon
  • 16α-Hydroxyprednisolone 16,17-acetonide
  • 16α,17α-(Isopropylidenedioxy)prednisolone
  • Steroderm
  • 11β,21-Dihydroxy-16α,17α-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione
  • Prednacinolone acetonide
  • Apolar
  • D 2083
  • Locapred
  • Topifug
  • Sterax
  • Budesonide acetonide
  • Prenacid
  • Tridesonit
  • Prednisolone acetonide
  • Desowen

Work with Desonide

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

Flunisolide3385-03-375 % similar Budesonide51333-22-373 % similar (22R)-Budesonide51372-29-373 % similar 16α-Hydroxyprednisolone13951-70-768 % similar Prednisolone50-24-864 % similar Triamcinolone acetonide76-25-560 % similar Rimexolone49697-38-358 % similar Ciclesonide126544-47-657 % similar

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

Same formula

11α-Hydroxymexrenone192704-56-6 Arenobufagin464-74-4 Methylprednisolone acetate53-36-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook