Doxercalciferol
Suppliers
Names
[ CAS No. ]:
54573-75-0
[ Name ]:
Doxercalciferol
[Synonym ]:
1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-
UNII-3DIZ9LF5Y9
(1S,3R,5Z,7E,22E)-9,10-Secoergosta-5,7,10,22-tetraene-1,3-diol
doxercalciferol
MFCD01076571
(1R,3S,5Z)-4-methylidene-5-[(2E)-2-{(1R,3aS,7aR)-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethylhex-2-en-1-yl]octahydro-4H-inden-4-ylidene}ethylidene]cyclohexane-1,3-diol
Hectorol
1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-
9,10-secoergosta-5,7,10,22-tetraene-1,3-diol, (1S,3R,5Z,7E,22E)-
Chemical & Physical Properties
[ Density]:
1.0±0.1 g/cm3
[ Boiling Point ]:
538.7±50.0 °C at 760 mmHg
[ Melting Point ]:
138-140ºC
[ Molecular Formula ]:
C28H44O2
[ Molecular Weight ]:
412.648
[ Flash Point ]:
224.0±24.7 °C
[ Exact Mass ]:
412.334137
[ PSA ]:
40.46000
[ LogP ]:
8.15
[ Vapour Pressure ]:
0.0±3.3 mmHg at 25°C
[ Index of Refraction ]:
1.541
[ Storage condition ]:
Desiccate at -20°C
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- VS2950000
- CHEMICAL NAME :
- 9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diol, (1-alpha,3-beta,5Z,7E,22E)-
- CAS REGISTRY NUMBER :
- 54573-75-0
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C28-H44-O2
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3500 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 178,432,1985 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 560 ug/kg/4W-I
- TOXIC EFFECTS :
- Nutritional and Gross Metabolic - changes in calcium Related to Chronic Data - death
- REFERENCE :
- PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 178,432,1985
Safety Information
[ Symbol ]:
GHS06
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H300
[ Precautionary Statements ]:
P264-P301 + P310
[ Hazard Codes ]:
T+
[ Risk Phrases ]:
28
[ Safety Phrases ]:
28-36/37-45
[ RIDADR ]:
UN 2811 6.1 / PGIII
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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