chempirical

Ciclesonide

C32H44O7CAS 126544-47-6540.70 g/mol

Open in Covalent MOL file
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AcetalAlcoholAlkeneEsterEtherKetone

Properties

Molecular formula
C32H44O7
Molar mass
540.70 g/mol
Exact mass
540.3087 Da
Melting point
209–211 °C
logP
4.70Crippen estimate
Polar surface area
99.1 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
5
Stereocentres
S, R, R, S, S, R, S, S, Sin SMILES atom order

Identifiers

CAS number
126544-47-6
SMILES
CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C
InChIKey
LUKZNWIVRBCLON-GXOBDPJESA-N
InChI
InChI=1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29+,30-,31-,32+/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, 16,17-[[(R)-cyclohexylmethylene]bis(oxy)]-11-hydroxy-21-(2-methyl-1-oxopropoxy)-, (11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 16,17-[(cyclohexylmethylene)bis(oxy)]-11-hydroxy-21-(2-methyl-1-oxopropoxy)-, [11β,16α(R)]-
  • 2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregna-1,4-diene-3,20-dione deriv.
  • (11β,16α)-16,17-[[(R)-Cyclohexylmethylene]bis(oxy)]-11-hydroxy-21-(2-methyl-1-oxopropoxy)pregna-1,4-diene-3,20-dione
  • (R)-11β,16α,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with cyclohexanecarboxaldehyde, 21-isobutyrate
  • RPR 251526
  • Alvesco
  • Omnaris
  • Cinase
  • BI 54903
  • Aservo EquiHaler

Work with Ciclesonide

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

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

Elsewhere

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