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| CAS No.: | 8067-82-1 |
|---|---|
| Name: | (3R,5S,8S,9S,10S,13R,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3 ,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11- one: [2-[(3R,5S,8S,9S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo -1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthr en-17-yl]-2-oxo-ethyl] acetate |
| Molecular Structure: | |
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| Formula: | C23H34O5•C21H32O3 |
| Molecular Weight: | 723.10 |
| Boiling Point: | 523.6°C at 760 mmHg |
| Flash Point: | 175.1°C |
| Safety: | Poison by intravenous route in humans. Also poison by intraperitoneal route experimentally. When heated to decomposition it emits acrid smoke and fumes. |
| PSA: | 135.04000 |
| LogP: | 7.09160 |
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Chemistry
IUPAC Name: (3R,5S,8S,9S,10S,13S,14S,17S)-17-Acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,
17-tetradecahydrocyclopenta[a]phenanthren-11-one ; [2-[(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Molecular Formula: C23H34O5•C21H32O3
Molecular Weight: 723.10g/mol
Freely Rotating Bonds: 5
Polar Surface Area: 69.67 Å2
Flash Point: 175.1 °C
Enthalpy of Vaporization: 91.74 kJ/mol
Boiling Point: 523.6 °C at 760 mmHg
Vapour Pressure: 3.75E-13 mmHg at 25°C
The Cas Register Number of Alfadione is 8067-82-1 .The chemical synonyms of Alfadione (CAS No.8067-82-1) are (3R,5S,8S,9S,10S,13R,14S,17S)-17-Acetyl-3-hydroxy-10,13-dimethyl-1,2,3 ,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11- one ; [2-[(3R,5S,8S,9S,10S,13R,14S,17S)-3-Hydroxy-10,13-dimethyl-11-oxo -1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthr en-17-yl]-2-oxo-ethyl] acetate ; Alfaxalone alfadolone mixture .The molecular structure of Alfadione (CAS No.8067-82-1) is
.
Uses
It can be used in organic synthesis.
Toxicity Data With Reference
| 1. | ivnwmn LDLo:125 mg/kg | PRACAK Practitioner. 222 (1979),249. | ||
| 2. | ipr-rat LD50:79 mg/kg | THERAP Therapie. 32 (1977),375. | ||
| 3. | ivn-rat LD50:36 mg/kg | JZKEDZ Jitchuken, Zenrinsho Kenkyuho. Central Institute for Experimental Animals, Preclinical Reports. 1 (1975),119. | ||
| 4. | ipr-mus LD50:140 mg/kg | JEMAAJ Journal of the Egyptian Medical Association. 62 (1979),191. | ||
| 5. | ivn-mus LD50:47 mg/kg | JEMAAJ Journal of the Egyptian Medical Association. 62 (1979),191. | ||
| 6. | ivnrbt LD50:12,700 µg/kg | PESTD5 Proceedings of the European Society of Toxicology. 16 (1975),208 |
Safety Profile
Poison by intravenous route in humans. Also poison by intraperitoneal route experimentally. When heated to decomposition it emits acrid smoke and fumes.