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CAS No.: | 73771-04-7 |
---|---|
Name: | [2-(17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] propanoate |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C27H36O8 |
Molecular Weight: | 488.578 |
Synonyms: | Dermatop;HOE 777;Prednisolone 17-(ethyl carbonate)21-propionate;Prednitop;Regenit;S 77-0777; |
EINECS: | 277-590-3 |
Density: | 1.25 g/cm3 |
Melting Point: | 110 - 112ºC |
Boiling Point: | 640.7 °C at 760 mmHg |
Flash Point: | 209.4 °C |
Appearance: | White cystalline powder |
PSA: | 116.20000 |
LogP: | 3.69930 |
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 20℃; for 24h; | 87.1% |
With dmap In dichloromethane at 20℃; for 16h; | 30.4% |
Conditions | Yield |
---|---|
With pyridine 1.) 0 deg C, 30 min, 2.) 20 deg C, 2 h; Yield given; |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 90 percent / p-TosOH / dioxane / 17 h / 22 °C 2: glacial AcOH, H2O / 5 h / 18 °C 3: pyridine / 1.) 0 deg C, 30 min, 2.) 20 deg C, 2 h View Scheme | |
Multi-step reaction with 3 steps 1: 90 percent / p-TosOH / dioxane / 17 h / 22 °C 2: glacial AcOH, H2O / 5 h / 18 °C 3: 30.4 percent / 4-dimethylaminopyridine / CH2Cl2 / 16 h / 20 °C View Scheme |
prednisolone-17,21-diethylorthocarbonate
prednicarbate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: glacial AcOH, H2O / 5 h / 18 °C 2: pyridine / 1.) 0 deg C, 30 min, 2.) 20 deg C, 2 h View Scheme | |
Multi-step reaction with 2 steps 1: glacial AcOH, H2O / 5 h / 18 °C 2: 30.4 percent / 4-dimethylaminopyridine / CH2Cl2 / 16 h / 20 °C View Scheme |
prednicarbate
A
11β,17-dihydroxy-21-propionyloxypregna-1,4-diene-3,20-dione
B
Prednisolone 17-ethylcarbonate
Conditions | Yield |
---|---|
With silica gel for 20h; Irradiation; | A 0.62% B 0.58% |
prednicarbate
C24H30O5
Conditions | Yield |
---|---|
at 264℃; for 0.5h; Inert atmosphere; |
Conditions | Yield |
---|---|
With water In acetone at 25 - 28℃; for 336h; Microbiological reaction; |
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Molecule structure of Pregna-1,4-diene-3,20-dione,17-[(ethoxycarbonyl)oxy]-11-hydroxy-21-(1-oxopropoxy)-, (11b)- (CAS NO.73771-04-7):
IUPAC Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-17-Ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo 7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
Molecular Weight: 488.56994 [g/mol]
Molecular Formula: C27H36O8
XLogP3: 4.2
H-Bond Donor: 1
H-Bond Acceptor: 8
Rotatable Bond Count: 9
Tautomer Count: 6
Exact Mass: 488.241018
MonoIsotopic Mass: 488.241018
Topological Polar Surface Area: 116
Heavy Atom Count: 35
Index of Refraction: 1.56
Molar Refractivity: 125.65 cm3
Molar Volume: 388.5 cm3
Surface Tension: 52.2 dyne/cm
Density: 1.25 g/cm3
Flash Point: 209.4 °C
Enthalpy of Vaporization: 108.35 kJ/mol
Boiling Point: 640.7 °C at 760 mmHg
Vapour Pressure: 4.11E-19 mmHg at 25 °C
Canonical SMILES: CCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)OCC
Isomeric SMILES: CCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)OC(=O)OCC
EINECS: 277-590-3
Classification Code: Adrenal Cortex Hormones; Anti-Inflammatory Agents; Glucocorticoid; Glucocorticoids; Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists
Pregna-1,4-diene-3,20-dione,17-[(ethoxycarbonyl)oxy]-11-hydroxy-21-(1-oxopropoxy)-, (11b)- (CAS NO.73771-04-7) is a relatively new topical corticosteroid drug. It is used for inflammatory skin diseases in the local treatment of adrenal cortex hormones.
Pregna-1,4-diene-3,20-dione,17-[(ethoxycarbonyl)oxy]-11-hydroxy-21-(1-oxopropoxy)-, (11b)- (CAS NO.73771-04-7) is also called 11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 17-(ethyl carbonate) 21-propionate ; Dermatop ; Dermatop E Emollient ; Prednicarbate ; Prednicarbato ; Prednicarbato [INN-Spanish] ; Prednicarbatum ; Prednicarbate ; Pregna-1,4-diene-3,20-dione, 17-((ethoxycarbonyl)oxy)-11-hydroxy-21-(1-oxopropoxy)-, (11beta)- .