Ciclesonide
CAS Number: 126544-47-6
Molecular Mass: 540.7 g/mol
Formula: C32H44O7
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
Synonymes:
Ciclesonide, 126544-47-6, Alvesco, Omnaris, Zetonna, RPR251526, RPR-251526, Ciclesonida, DTXSID9046659, Alvesco 80, Alvesco 160, (R)-11beta,16alpha,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with cyclohexanecarboxaldehyde, 21-isobutyrate, BI54903, DTXCID7026659, S59502J185, ciclesonidum, Aservo EquiHaler, RefChem:57392, R01AD13, R03BA08, 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, Ciclesonide (Standard), Ciclesonide [INN], [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, 141845-82-1, [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, 2-{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, Osonase, Osonide, Omnair, RPR 251526, Alvesco HFA, Omnaris HFA, 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, Alvesco (TN), Omnaris (TN), Ciclesonide [USAN:INN], sobutyrate, BTR-15K, Ciclesonide (JAN/USAN/INN), BTR-15, TBN-15, Ciclesonide CRS, LUKZNWIVRBCLON-GXOBDPJESA-N, UNII-S59502J185, NCGC00167484-01, Zetonna (TN), Alvesco, Ciclesonide, BYK-20426, BY-9010, KS-1165, CICLESONIDE [MI], CICLESONIDE [JAN], CICLESONIDE [USAN], CICLESONIDE [VANDF], SCHEMBL3688, CICLESONIDE [MART.], CICLESONIDE [WHO-DD], B-9207-015, GTPL7469, orb1305357, orb3025781, el-87-6, CHEMBL2040682, CHEBI:31397, Ciclesonide, >=98% (HPLC), HY-B0625R, CICLESONIDE [ORANGE BOOK], WLZ3795, CICLESONIDE [EP MONOGRAPH], HMS3714N07, EX-A4195, HY-B0625, Tox21_112486, BDBM50247997, EBC-27297, MSK011037, s4646, Ciclesonide containing impurity A CRS, AKOS015994702, AC-1330, CCG-269962, DB01410, FC20428, MSK011037-1000A, NCGC00167972-01, Pregna-1,4-diene-3,20-dione, 16,17-(((R)-cyclohexylmethylene)bis(oxy))-11-hydroxy-21-(2-methyl-1-oxopropoxy)-, (11beta,16alpha)-, Pregna-1,4-diene-3,20-dione, 16,17-((cyclohexylmethylene)bis(oxy))-11-hydroxy-21-(2-methyl-1-oxopropoxy)-, (11beta,16alpha(R))-, Ciclesonide 100 microg/mL in Acetonitrile, C3701, CAS-141845-82-1, CS-0694790, NS00006507, C72110, D01703, Ciclesonide Solution in Acetonitrile, 1000ug/mL, EN300-19766990, SR-01000942227, Q5119448, SR-01000942227-1, BRD-K35245662-001-01-2, Ciclesonide, European Pharmacopoeia (EP) Reference Standard, (11?,16?)-16,17-[[(R)-Cyclohexylmethylene]bis(oxy)]-11-hydroxy-21-(2-methyl-1-oxopropoxy)-pregna-1,4-diene-3,20-dione, (11beta,16alpha)-16,17-[[(R)-Cyclohexylmethylene]bis(oxy)]-11-hydroxy-21-(2-methyl-1-oxopropoxy)pregna-1,4-diene-3,20-dione, [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-oxo-ethyl] 2-methylpropanoate, 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 i, 2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-cyclohexyl-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]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-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-phenanthro[1',2':1,2]cyclopenta[3,4-d][1,3]dioxol-6b-yl]-2-oxoethyl 2-methylpropanoate, 2H-Naphth (2',1':4,5) indeno (1,2-d) (1,3) dioxole, pregna-1,4-diene-3,20-dione deriv., PREGNA-1,4-DIENE-3,20-DIONE, 16,17-(((R)-CYCLOHEXYLMETHYLENE)BIS(OXY))-11-HYDROXY-21-(2-METHYL-1-OXOPROPOXY)-, (11.BETA.,16.ALPHA.)
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Butanol | 278.15 | - | 429.4 | [98] |
| 1-Butanol | 280.65 | - | 442.2 | [98] |
| 1-Butanol | 283.15 | - | 459.8 | [98] |
| 1-Butanol | 285.65 | - | 477.4 | [98] |
| 1-Butanol | 288.15 | - | 501.3 | [98] |
| 1-Butanol | 290.65 | - | 525.3 | [98] |
| 1-Butanol | 293.15 | - | 550.1 | [98] |
| 1-Butanol | 295.65 | - | 581.3 | [98] |
| 1-Butanol | 298.15 | - | 611.3 | [98] |
| 1-Butanol | 300.65 | - | 646.5 | [98] |
| 1-Butanol | 303.15 | - | 686.4 | [98] |
| 1-Butanol | 305.65 | - | 728.8 | [98] |
| 1-Butanol | 308.15 | - | 779.0 | [98] |
| 1-Butanol | 310.65 | - | 822.3 | [98] |
| 1-Butanol | 313.15 | - | 873.6 | [98] |
| 1-Propanol | 278.15 | - | 105.0 | [98] |
| 1-Propanol | 280.65 | - | 122.1 | [98] |
| 1-Propanol | 283.15 | - | 142.2 | [98] |
| 1-Propanol | 285.65 | - | 165.4 | [98] |
| 1-Propanol | 288.15 | - | 186.0 | [98] |
| 1-Propanol | 290.65 | - | 217.0 | [98] |
| 1-Propanol | 293.15 | - | 249.8 | [98] |
| 1-Propanol | 295.65 | - | 288.8 | [98] |
| 1-Propanol | 298.15 | - | 328.7 | [98] |
| 1-Propanol | 300.65 | - | 380.0 | [98] |
| 1-Propanol | 303.15 | - | 430.3 | [98] |
| 1-Propanol | 305.65 | - | 491.4 | [98] |
| 1-Propanol | 308.15 | - | 559.2 | [98] |
| 1-Propanol | 310.65 | - | 638.6 | [98] |
| 1-Propanol | 313.15 | - | 722.2 | [98] |
| Acetonitrile | 278.15 | - | 51.28 | [98] |
| Acetonitrile | 280.65 | - | 55.66 | [98] |
| Acetonitrile | 283.15 | - | 60.54 | [98] |
| Acetonitrile | 285.65 | - | 65.59 | [98] |
| Acetonitrile | 288.15 | - | 71.78 | [98] |
| Acetonitrile | 290.65 | - | 76.98 | [98] |
| Acetonitrile | 293.15 | - | 83.0 | [98] |
| Acetonitrile | 295.65 | - | 89.59 | [98] |
| Acetonitrile | 298.15 | - | 96.77 | [98] |
| Acetonitrile | 300.65 | - | 104.0 | [98] |
| Acetonitrile | 303.15 | - | 112.0 | [98] |
| Acetonitrile | 305.65 | - | 119.8 | [98] |
| Acetonitrile | 308.15 | - | 128.7 | [98] |
| Acetonitrile | 310.65 | - | 137.5 | [98] |
| Acetonitrile | 313.15 | - | 145.3 | [98] |
| Ethanol | 278.15 | - | 21.81 | [98] |
| Ethanol | 280.65 | - | 26.0 | [98] |
| Ethanol | 283.15 | - | 31.28 | [98] |
| Ethanol | 285.65 | - | 37.34 | [98] |
| Ethanol | 288.15 | - | 44.72 | [98] |
| Ethanol | 290.65 | - | 53.08 | [98] |
| Ethanol | 293.15 | - | 62.88 | [98] |
| Ethanol | 295.65 | - | 74.15 | [98] |
| Ethanol | 298.15 | - | 87.19 | [98] |
| Ethanol | 300.65 | - | 102.0 | [98] |
| Ethanol | 303.15 | - | 119.8 | [98] |
| Ethanol | 305.65 | - | 140.1 | [98] |
| Ethanol | 308.15 | - | 163.3 | [98] |
| Ethanol | 310.65 | - | 189.2 | [98] |
| Ethanol | 313.15 | - | 220.0 | [98] |
| Ethyl acetate | 278.15 | - | 306.1 | [98] |
| Ethyl acetate | 280.65 | - | 332.8 | [98] |
| Ethyl acetate | 283.15 | - | 360.1 | [98] |
| Ethyl acetate | 285.65 | - | 390.0 | [98] |
| Ethyl acetate | 288.15 | - | 421.3 | [98] |
| Ethyl acetate | 290.65 | - | 456.0 | [98] |
| Ethyl acetate | 293.15 | - | 492.3 | [98] |
| Ethyl acetate | 295.65 | - | 531.0 | [98] |
| Ethyl acetate | 298.15 | - | 572.9 | [98] |
| Ethyl acetate | 300.65 | - | 614.5 | [98] |
| Ethyl acetate | 303.15 | - | 666.9 | [98] |
| Ethyl acetate | 305.65 | - | 712.8 | [98] |
| Ethyl acetate | 308.15 | - | 766.4 | [98] |
| Ethyl acetate | 310.65 | - | 827.4 | [98] |
| Ethyl acetate | 313.15 | - | 882.3 | [98] |
| Isopropanol | 278.15 | - | 58.97 | [98] |
| Isopropanol | 280.65 | - | 68.59 | [98] |
| Isopropanol | 283.15 | - | 80.22 | [98] |
| Isopropanol | 285.65 | - | 93.9 | [98] |
| Isopropanol | 288.15 | - | 109.0 | [98] |
| Isopropanol | 290.65 | - | 126.2 | [98] |
| Isopropanol | 293.15 | - | 146.5 | [98] |
| Isopropanol | 295.65 | - | 168.9 | [98] |
| Isopropanol | 298.15 | - | 195.8 | [98] |
| Isopropanol | 300.65 | - | 225.7 | [98] |
| Isopropanol | 303.15 | - | 260.3 | [98] |
| Isopropanol | 305.65 | - | 298.7 | [98] |
| Isopropanol | 308.15 | - | 343.0 | [98] |
| Isopropanol | 310.65 | - | 392.5 | [98] |
| Isopropanol | 313.15 | - | 449.0 | [98] |
| Toluene | 278.15 | - | 158.2 | [98] |
| Toluene | 280.65 | - | 169.3 | [98] |
| Toluene | 283.15 | - | 182.1 | [98] |
| Toluene | 285.65 | - | 195.4 | [98] |
| Toluene | 288.15 | - | 208.7 | [98] |
| Toluene | 290.65 | - | 224.2 | [98] |
| Toluene | 293.15 | - | 239.1 | [98] |
| Toluene | 295.65 | - | 255.2 | [98] |
| Toluene | 298.15 | - | 272.5 | [98] |
| Toluene | 300.65 | - | 290.3 | [98] |
| Toluene | 303.15 | - | 309.3 | [98] |
| Toluene | 305.65 | - | 329.4 | [98] |
| Toluene | 308.15 | - | 350.2 | [98] |
| Toluene | 310.65 | - | 372.2 | [98] |
| Toluene | 313.15 | - | 394.9 | [98] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 3937.8204 |
| PMI2 | 7752.4042 |
| PMI3 | 8594.3930 |
| NPR1 | 0.4582 |
| NPR2 | 0.9020 |
| RadiusOfGyration | 4.3310 |
| InertialShapeFactor | 0.0002 |
| Eccentricity | 0.8889 |
| Asphericity | 0.1796 |
| SpherocityIndex | 0.5224 |
| PBF | 1.5659 |