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57781-14-3

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Basic Information
CAS No.: 57781-14-3
Name: 2-bromo-6beta,9-difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)
Molecular Structure:
Molecular Structure of 57781-14-3 (2-bromo-6beta,9-difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate))
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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Chemistry

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:

Toxicity Data With Reference

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.

Safety Profile

Low toxicity by ingestion. An experimental teratogen. Experimental reproductive effects. A steroid. When heated to decomposition it emits toxic fumes of F− and Br−.