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Search term: LUKZNWIVRBCLON-GXOBDPJESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Ciclesonide | C32H44O7

Ciclesonide

  • Molecular FormulaC32H44O7
  • Average mass540.688 Da
  • Monoisotopic mass540.308716 Da
  • ChemSpider ID5293368

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
The Merck Index Online

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(11,16)-16,17-[[(R)-Cyclohexylmethylene]bis(oxy)]-11-hydroxy-21-(2-methyl-1-oxopropoxy)pregna-1,4-diene-3,20-dione
(R)-11b,16a,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione Cyclic 16,17-Acetal with Cyclohexanecarboxaldehyde 21-Isobutyrate
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,?.0?,?.0¹³,¹?]icosa-14,17-dien-8-yl]-2-oxoethyl 2-methylpropanoate
2-[(4aR,4bS,5S,6aS,6bS,8R,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-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 2-m ethylpropanoate [ACD/IUPAC Name]
2-[(4aR,4bS,5S,6aS,6bS,8R,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-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 2-methylpropanoate
2-[(4aR,4bS,5S,6aS,6bS,8R,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-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl-2-m ethylpropanoat [German] [ACD/IUPAC Name]
2-[(4aR,4bS,5S,6aS,6bS,8R,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-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl-2-methylpropanoat
2-[(4aR,4bS,6aS,6bS,8R,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-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 2-meth ylpropanoate [ACD/IUPAC Name]
2-[(4aR,4bS,6aS,6bS,8R,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-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl-2-meth ylpropanoat [German] [ACD/IUPAC Name]
2-méthylpropanoate de 2-[(4aR,4bS,5S,6aS,6bS,8R,9aR,10aS,10bS)-8-cyclohexyl-5-hydroxy-4a,6a-diméthyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodécahydro-6bH-naphto[2',1':4,5]indéno[1,2-d][1,3]dioxol-
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

126544-47-6 [DBID] [RN]
6546 [DBID]
BTR-15 [DBID]
BY-9010 [DBID]
BYK-20426 [DBID]
D01703 [DBID]
TBN-15 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      R01AD13 Wikidata Q5119448
      R03BA08 Wikidata Q5119448

    • Target Organs:

      Glucocorticoid Receptor agonist TargetMol T2526

    • Bio Activity:

      Ciclesonide(RPR251526) is a glucocorticoid used to treat obstructive airway diseases. MedChem Express
      Ciclesonide(RPR251526) is a glucocorticoid used to treat obstructive airway diseases.; Target: Glucocorticoid Receptor; Ciclesonide (CIC) is an inhaled glucocorticosteroid. MedChem Express HY-B0625
      Ciclesonide(RPR251526) is a glucocorticoid used to treat obstructive airway diseases.;Target: Glucocorticoid ReceptorCiclesonide (CIC) is an inhaled glucocorticosteroid. CIC (5 microM) was rapidly hydrolyzed by NHBE cells (approximately 30% conversion at 4h), with almost complete conversion by 24h. In liver and NHBE cells, major involvement of cytosolic carboxylesterases, with some contribution by cholinesterases, was indicated. The highest level of conversion was found in the liver, the site of inactivation of des-CIC through rapid oxidation by cytochrome P450. Carboxylesterases in bronchial epithelial cells probably contribute significantly to the conversion to des-CIC in the target organ, whereas low systemic levels of des-CIC are a result of the high metabolic clearance by the liver following CIC inhalation [1]. Ciclesonide may have some advantage although it is not as yet licensed in all countries for paediatric use [2]. MedChem Express HY-B0625
      Endocrinology/ Hormones TargetMol T2526
      Glucocorticoid antiasthmatic prodrug Tocris Bioscience 6357
      Glucocorticoid antiasthmatic prodrug; de-esterified in the lung to active metabolite. Anti-inflammatory. Tocris Bioscience 6357
      Glucocorticoid Receptor Tocris Bioscience 6357
      Glucocorticoid Receptor MedChem Express HY-B0625
      Glucocorticoid Receptor TargetMol T2526
      GPCR/G protein MedChem Express HY-B0625
      GPCR/G protein; MedChem Express HY-B0625
      Nuclear Receptors Tocris Bioscience 6357

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 665.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.9±6.0 kJ/mol
Flash Point: 210.0±25.0 °C
Index of Refraction: 1.576
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8247.96
ACD/KOC (pH 5.5): 22126.42
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8247.96
ACD/KOC (pH 7.4): 22126.42
Polar Surface Area: 99 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 437.0±5.0 cm3

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