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| CAS No.: | 152-58-9 |
|---|---|
| Name: | CORTEXOLONE |
| Molecular Structure: | |
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| Formula: | C21H30O4 |
| Molecular Weight: | 346.467 |
| Synonyms: | Compound S(6CI);11-Deoxy-17-hydrocorticosterone;11-Deoxy-17-hydroxycorticosterone;11-Deoxycortisol;11-Deoxycortisone;11-Deoxyhydrocortisone;11-Desoxy-17a-hydroxycorticosterone;Cortexolone;Cortifen;Cortisol, 11-deoxy-;Cortodoxone;NSC 18317;ReichsteinS;Reichstein's compound S;Reichstein's substance S;SKF 3050;Substance S; |
| EINECS: | 205-805-2 |
| Density: | 1.222 g/cm3 |
| Melting Point: | 205-208 °C |
| Boiling Point: | 524.518 °C at 760 mmHg |
| Flash Point: | 285.097 °C |
| Solubility: | 44.08mg/L(37 oC) |
| Appearance: | Crystalline solid |
| Hazard Symbols: | F,T |
| Risk Codes: | 11-23/24/25-39/23/24/25 |
| Safety: | 24/25-22 |
| PSA: | 74.60000 |
| LogP: | 2.81080 |
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(8R,9S,10R,13S,14S)-10,13-Dimethyl-17-[1-tripropylsilanyloxy-eth-(Z)-ylidene]-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one
- 152-58-9
Cortexolone
| Conditions | Yield |
|---|---|
| With potassium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid | 88% |
| Conditions | Yield |
|---|---|
| With water; potassium carbonate In methanol at 20℃; for 3h; Inert atmosphere; | 85% |
| With methanol; potassium hydrogencarbonate |
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol Ambient temperature; | 80% |
| With potassium hydroxide |
- 152-58-9
Cortexolone
| Conditions | Yield |
|---|---|
| With water; potassium carbonate In acetone at 20℃; for 72h; Inert atmosphere; | 70% |
- 20380-17-0
21-bromo-17α-hydroxy-4-pregnene-3,20-dione
- 152-58-9
Cortexolone
| Conditions | Yield |
|---|---|
| With potassium carbonate for 0.166667h; Heating; | 68% |
| With water; potassium carbonate In acetone at 20℃; for 0.5h; Inert atmosphere; | 57% |
| Conditions | Yield |
|---|---|
| With disodium hydrogenphosphate; potassium dihydrogenphosphate; D-glucose; menadione; corn-steep liquor In water; N,N-dimethyl-formamide at 28℃; for 40h; Rhodococcus sp.; | A 30% B 50% |
| Conditions | Yield |
|---|---|
| mit Hilfe von Trichothecium roseum; |
| Conditions | Yield |
|---|---|
| mit Hilfe von Trichothecium roseum; |
- 59005-57-1
17.20βF-dihydroxy-3-oxo-pregnen-(4)-al-(21)
- 152-58-9
Cortexolone
| Conditions | Yield |
|---|---|
| With pyridine |
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Specification
The Pregn-4-ene-3,20-dione,17,21-dihydroxy- is an organic compound with the formula C21H30O4. The IUPAC name of this chemical is (8R,9S,10R,13S,14S,17R)-17-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one. With the CAS registry number 152-58-9, it is also named as 11-Desoxycortisol. The product's categories are Pharmaceutical Raw Materials; Steroids; Biochemistry; Hydroxyketosteroids; Intermediates and Fine Chemicals; Pharmaceuticals. Besides, it is crystalline solid, which should be stored in a sealed place. And it can be used for glucocorticoid receptor binding. This chemical can be prepared by separating extraction of Adrenal.
Physical properties about Pregn-4-ene-3,20-dione,17,21-dihydroxy- are: (1)ACD/LogP: 2.74; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 52.6 Å2; (6)Index of Refraction: 1.577; (7)Molar Refractivity: 94.05 cm3; (8)Molar Volume: 283.4 cm3; (9)Polarizability: 37.28×10-24 cm3; (10)Surface Tension: 52.8 dyne/cm; (11)Density: 1.22 g/cm3; (12)Flash Point: 285.1 °C; (13)Enthalpy of Vaporization: 91.87 kJ/mol; (14)Boiling Point: 524.5 °C at 760 mmHg; (15)Vapour Pressure: 3.41E-13 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
It is toxic in contact with skin and if swallowed. Besides, this chemical is harmful if swallowed.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1
(2)InChIKey: WHBHBVVOGNECLV-OBQKJFGGBG
(3)Std. InChI: InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1
(4)Std. InChIKey: WHBHBVVOGNECLV-OBQKJFGGSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 100mg/kg (100mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04684, |