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CAS No.: | 57781-14-3 |
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Name: | 2-bromo-6beta,9-difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate) |
Molecular Structure: | |
Formula: | C25H29 Br F2 O7 |
Molecular Weight: | 559.402 |
Synonyms: | Haloart;Halopredone acetate; THS 201; Topicon |
Density: | 1.49g/cm3 |
Melting Point: | 290-292° (dec) |
Boiling Point: | 620.5°C at 760 mmHg |
Flash Point: | 329.1°C |
Safety: | Low toxicity by ingestion. An experimental teratogen. Experimental reproductive effects. A steroid. When heated to decomposition it emits toxic fumes of F− and Br−. |
PSA: | 106.97000 |
LogP: | 3.46190 |
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ProductName: Halopredone acetate
Synonyms of Halopredone acetate (CAS NO.57781-14-3): Halopredone acetate [USAN:JAN] ; 17,21-Bis(acetyloxy)-2-bromo-6-beta,9-difluoro-11-beta-hydroxypregna-1,4-dien-3,20-dione ; 2-Bromo-6beta,9-difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-diacetate ; CCRIS 2685 ; EINECS 260-951-4 ; Halopredone 17,21-diacetate ; Halopredone acetate ; Halopredone diacetate ; THS-201 ; 2-Bromo-6beta,9-difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate) ; Pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-2-bromo-6,9-difluoro-11-hydroxy-, (6beta,11beta)-
CAS NO: 57781-14-3
Molecular Formula of Halopredone acetate (CAS NO.57781-14-3): C25H29BrF2O7
Molecular Weight: 559.3944
H bond acceptors: 7
H bond donors: 1
Freely Rotating Bonds: 7
Polar Surface Area: 95.97 Å2
Index of Refraction: 1.569
Molar Refractivity: 122.39 cm3
Molar Volume: 373.5 cm3
Surface Tension: 52.9 dyne/cm
Density: 1.49 g/cm3
Flash Point: 329.1 °C
Enthalpy of Vaporization: 105.43 kJ/mol
Boiling Point: 620.5 °C at 760 mmHg
Vapour Pressure: 5.36E-18 mmHg at 25°C
Molecular Structure:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | > 5gm/kg (5000mg/kg) | Drugs in Japan Vol. -, Pg. 839, 1990. | |
mouse | LD50 | oral | > 5gm/kg (5000mg/kg) | Drugs in Japan Vol. -, Pg. 839, 1990. | |
mouse | LD50 | subcutaneous | > 5gm/kg (5000mg/kg) | Drugs in Japan Vol. -, Pg. 839, 1990. | |
rat | LD50 | intraperitoneal | > 5gm/kg (5000mg/kg) | Drugs in Japan Vol. -, Pg. 839, 1990. | |
rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Drugs in Japan Vol. -, Pg. 839, 1990. | |
rat | LD50 | subcutaneous | > 5gm/kg (5000mg/kg) | Drugs in Japan Vol. -, Pg. 839, 1990. |
Low toxicity by ingestion. An experimental teratogen. Experimental reproductive effects. A steroid. When heated to decomposition it emits toxic fumes of F− and Br−.