2-[(1S,2S,4R,8S,9S,11S,12S,13R)-6-cyclohexyl-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-8-yl]-2-oxoethyl 2-methylpropanoate
Basic information
- CAS
141845-82-1- Standard SMILES
CC(C)C(=O)OCC(=O)[C@@]12OC(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-FOMURGDPSA-N- Molecular formula
- C32H44O7
- Average molar mass
- 540.7 g/mol
- Monoisotopic mass
- 540.30870374
Overview
See also: Ciclesonide (annotation moved to).
Names & identifiers
- Preferred name
- 2-[(1S,2S,4R,8S,9S,11S,12S,13R)-6-cyclohexyl-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-8-yl]-2-oxoethyl 2-methylpropanoate
- IUPAC
- [2-[(1S,2S,4R,8S,9S,11S,12S,13R)-6-cyclohexyl-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 2-methylpropanoate
- English name
- Ciclesonide
- Molecular formula
- C32H45O7
- Molecular weight
- 540.69
Names & synonyms
141845-82-1(RS)-CiclesonideCiclesonide impurity C CRSSCHEMBL10073750NCGC00386545-012-[(1S,2S,4R,8S,9S,11S,12S,13R)-6-cyclohexyl-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-8-yl]-2-oxoethyl 2-methylpropanoate2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-8-Cyclohexyl-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 2-methylpropanoate204444-45-1Isobutyric acid 2-((4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-8-cyclohexyl-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-7,9-dioxa-pentaleno[2,1-a]phenanthren-6b-yl)-2-oxo-ethyl esterOmnarisAlvescoAC1MIWNR
Show more names
Rpr 251526CiclesonideUnii-S59502J185Ciclesonide USP/EP/BPPregna-1,4-diene-3,20-dione, 16,17-((cyclohexylmethylene)bis(oxy))-11-hydroxy-21-(2-methyl-1-oxopropoxy)-, (11beta,16alpha(R))-
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,100
Experimental & physicochemical properties
Solubility1.57e-03 g/L
Physical DescriptionSolid
Physicochemical properties
- FDA UNII
- 59502 J185 · S59502J185
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
UsesTreatment of asthma as prophylactic therapy in adults and adolescents.
Additional notes
DefinitionChEBI: Ciclesonide is an organic molecular entity.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…