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Ciclesonide

CAT: 0607-B3477-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B3477-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A glucocorticoid
CAS Number
126544-47-6
Product Name Alternative
2-((6aR,6bS,7S,8aS,8bS,10R,11aR,12aS,12bS)-10-cyclohexyl-7-hydroxy-6a,8a-dimethyl-4-oxo-2,4,6a,6b,7,8,8a,8b,11a,12,12a,12b-dodecahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-8b-yl)-2-oxoethyl isobutyrate
Field of Research
GPCR G protein Glucocorticoid Receptor
Purity
0.9907
Form
A solid
Solubility
insoluble in H2O; ≥15.8 mg/mL in DMSO; ≥50.6 mg/mL in EtOH
Smiles
CC(C(OCC([C@@]12[C@@](O[C@@](O2)([H])C3CCCCC3)([H])C[C@@]4([H])[C@]([C@]5([H])[C@](O)([H])C[C@@]41C)([H])CCC6=CC(C=C[C@@]65C)=O)=O)=O)C
Molecular Formula
C32H44O7
Molecular Weight
540.69
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Ciclesonide

Ciclesonide is an organic molecular entity.

CAS Number126544-47-6
PubChem CID6918155
IUPAC Name[2-[(1S,2S,4R,6R,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
Molecular FormulaC32H44O7
Molecular Weight540.7
XLogP5.3
Topological Polar Surface Area99.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity1100
SMILES
CC(C)C(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)O[C@H](O2)C6CCCCC6
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
InChIKey
LUKZNWIVRBCLON-GXOBDPJESA-N
Chemical Structure
2D Structure
2D structure of Ciclesonide
CAS: 126544-47-6
CID: 6918155
Formula: C32H44O7
MW: 540.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight540.7
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass540.30870374
Monoisotopic Mass540.30870374
Topological Polar Surface Area99.1 Ų
Heavy Atom Count39
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FC20428-01Ciclesonide

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