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| CAS No.: | 41294-56-8 |
|---|---|
| Name: | Alfacalcidol |
| Article Data: | 37 |
| Molecular Structure: | |
|
|
|
| Formula: | C27H44O2 |
| Molecular Weight: | 400.645 |
| Synonyms: | 9,10-Secocholesta-5,7,10(19)-triene-1,3-diol,(1a,3b,5Z,7E)- (9CI);(1S)-Hydroxycalciol;1-Hydroxyvitamin D3;1a-Hydroxycholecalciferol;1a-Hydroxyvitamin D3;Alfarol;Alpha D3;Alfacalcidolum;Alpharol;Bondiol;EinsAlpha;Etalpha;Oxydevit;Un Alfa;Un Alpha;a-Calcidol; |
| EINECS: | 255-297-1 |
| Density: | 1.01 g/cm3 |
| Melting Point: | 134-136 °C |
| Boiling Point: | 531.5 °C at 760 mmHg |
| Flash Point: | 222.6 °C |
| Appearance: | white powder |
| Hazard Symbols: |
 T+,  Xi
|
| Risk Codes: | 26/27/28-36/37/38 |
| Safety: | 28-36/37-45-36-26 |
| Transport Information: | UN 2811 6.1/PG 1 |
| PSA: | 40.46000 |
| LogP: | 6.58980 |
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- 108887-35-0
1α,3β-bis(tert-butyldimethylsilyloxy)-9,10-secocholesta-5,7,10(19)-triene
- 41294-56-8
1α-hydroxyvitamin D3
| Conditions | Yield |
|---|---|
| With tetrabutyl ammonium fluoride In tetrahydrofuran for 2h; Heating; | 98% |
| With tetrabutyl ammonium fluoride In tetrahydrofuran at 55℃; | 70% |
| With tetrabutyl ammonium fluoride In tetrahydrofuran for 4h; Yield given; |
- 873567-11-4
(1R,3aS,7aR)-1-((R)-1,5-Dimethyl-hexyl)-7a-methyl-4-[2-[(3S,5R)-2-methylene-3,5-bis-triisopropylsilanyloxy-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-octahydro-indene
- 41294-56-8
1α-hydroxyvitamin D3
| Conditions | Yield |
|---|---|
| With tetrabutyl ammonium fluoride In tetrahydrofuran for 1h; | 94% |
- 162889-26-1
1α-di<(2-methoxyethoxy)methoxy>vitamin D3
- 41294-56-8
1α-hydroxyvitamin D3
| Conditions | Yield |
|---|---|
| With zinc dibromide In dichloromethane | 91% |
- 138924-22-8
(1R,3aS,7aR)-4-[2-[(3S,5R)-3-(tert-Butyl-dimethyl-silanyloxy)-5-(tert-butyl-diphenyl-silanyloxy)-2-methylene-cyclohex-(Z)-ylidene]-eth-(E)-ylidene]-1-((R)-1,5-dimethyl-hexyl)-7a-methyl-octahydro-indene
- 41294-56-8
1α-hydroxyvitamin D3
| Conditions | Yield |
|---|---|
| With tetrabutyl ammonium fluoride In tetrahydrofuran for 40h; Ambient temperature; | 79% |
| With tetrabutyl ammonium fluoride In tetrahydrofuran Ambient temperature; | 79% |
- 41294-56-8, 58028-00-5, 63181-13-5, 65445-15-0, 76135-93-8, 89577-10-6, 134523-94-7, 142865-40-5, 65445-14-9
1α-hydroxy-5,6-trans-vitamin D3
- 41294-56-8
1α-hydroxyvitamin D3
| Conditions | Yield |
|---|---|
| With anthracene In methanol at 20℃; for 4h; Inert atmosphere; UV-irradiation; | 75% |
| With anthracene; triethylamine In toluene Kinetics; Concentration; Time; UV-irradiation; |
- 41461-13-6
1α-hydroxyprecalciferol3
- 41294-56-8
1α-hydroxyvitamin D3
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol at 80℃; for 24h; | 64% |
| In benzene for 8h; Heating; Yield given; | |
| In ethanol-d6 at 80℃; Rate constant; Equilibrium constant; |
- 67657-73-2
(1S,6R)-3-deoxy-1-hydroxy-6-methoxy-3,5-cyclo-5,6-dihydrovitamin D3
- 41294-56-8
1α-hydroxyvitamin D3
| Conditions | Yield |
|---|---|
| Stage #1: (1S,6R)-3-deoxy-1-hydroxy-6-methoxy-3,5-cyclo-5,6-dihydrovitamin D3 With acetic acid In dimethyl sulfoxide at 20 - 50℃; for 1h; Inert atmosphere; Stage #2: With 4-Phenylurazole In ethyl acetate at 10℃; for 2h; Reagent/catalyst; Temperature; Inert atmosphere; | 45% |
| Multi-step reaction with 3 steps 1: Hunig base / 5 h / Ambient temperature 2: pTsOH / dioxane; H2O / 0.08 h / 55 °C 3: 39 percent / conc. HCl / methanol / 3.5 h / 60 °C View Scheme | |
| Multi-step reaction with 3 steps 1: 83 percent / N-ethyl diisopropylamine (Huenig's base) / CH2Cl2 / 1.) 0 deg C, 2.) room temperature, 5 h 2: 51 percent / water / toluene-p-sulphonic acid (PTSA) / dioxane / 0.08 h / 55 °C 3: 39 percent / conc. hydrochloric acid / methanol / 3.5 h / 60 °C View Scheme |
- 101046-92-8
(1S)-1-methoxymethoxyvitamin D3
- 41294-56-8
1α-hydroxyvitamin D3
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol at 60℃; for 3.5h; | 39% |
| With hydrogenchloride In methanol at 60℃; for 3.5h; | 39% |
- 43217-89-6
1α,3β-dihydroxycholesta-5,7-diene
- 41294-56-8
1α-hydroxyvitamin D3
| Conditions | Yield |
|---|---|
| Stage #1: 1α,3β-dihydroxycholesta-5,7-diene In 1,4-dioxane Irradiation; Stage #2: at 100℃; | 13% |
| In benzene Irradiation; | |
| (i) EtOH, (UV-irradiation), (ii) (heating); Multistep reaction; |
- 41461-10-3
1α,3β-diacetoxycholesta-5,7-diene
- 41294-56-8
1α-hydroxyvitamin D3
| Conditions | Yield |
|---|---|
| (i) pentane, (UV-irradiation), (ii) (isomerization), (iii) (saponification); Multistep reaction; | |
| Multi-step reaction with 2 steps 1: aq. KOH / methanol 2: (i) EtOH, (UV-irradiation), (ii) (heating) View Scheme |
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Chemistry
Molecular Structure:
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Molecular Formula: C27H44O2
Molecular Weight: 400.6371
IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-Methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Synonyms of Alfacalcidolum (CAS NO.41294-56-8): 1alpha-Hydroxycholecalciferol ; Alfacalcidol [INN:BAN:JAN] ; (5Z,7E)-9,10-Seco-5,7,10(19)-cholestatrien-1alpha,3beta-diol ; 1-Hydroxyvitamin D3 ; 1alpha-Hydroxy-vitamin D3 ; Alfacalcidol ; Alfacalcidolum ; Alfacalcidolum [INN-Latin] ; Alfarol ; Alpha D 3 ; Alphacalcidol ; Bondiol ; CCRIS 3341 ; EB 644 ; EINECS 255-297-1 ; One-Alpha ; Oxydevit ; Sinovul ; UNII-URQ2517572 ; Un-Alpha ; alpha-Calcidol ; 9,10-Secocholesta-,7,10(19)-triene-1alpha,3beta-diol ; 9,10-Secocholesta-5,7,10(19)-triene-1,3-diol, (1-alpha,3-beta,5Z,7E)- ; 9,10-Secocholesta-5,7,10(19)-triene-1,3-diol,(1alpha,3beta,5Z,7E)-
CAS NO: 41294-56-8
Classification Code: Bone Density Conservation Agents ; Drug / Therapeutic Agent ; Reproductive Effect
Melting point: 134-136°C
Index of Refraction: 1.534
Molar Refractivity: 122.78 cm3
Molar Volume: 394.8 cm3
Surface Tension: 40.2 dyne/cm
Density: 1.01 g/cm3
Flash Point: 222.6 °C
Enthalpy of Vaporization: 92.83 kJ/mol
Boiling Point: 531.5 °C at 760 mmHg
Vapour Pressure: 1.62E-13 mmHg at 25°C
Uses
Alfacalcidolum (CAS NO.41294-56-8) is used as poultry feed additives tibial for prevention, and phytate phosphorus utilization.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | intravenous | 200ug/kg (0.2mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 9, Pg. 103, 1978. |
| dog | LD50 | oral | 500ug/kg (0.5mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 9, Pg. 103, 1978. |
| mouse | LD50 | intravenous | 56ug/kg (0.056mg/kg) | LUNGS, THORAX, OR RESPIRATION: DYSPNEA MUSCULOSKELETAL: OTHER CHANGES SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Toxicology and Applied Pharmacology. Vol. 36, Pg. 323, 1976. |
| mouse | LD50 | oral | 440ug/kg (0.44mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BLOOD: CHANGES IN SPLEEN SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 560, 1977. |
| mouse | LD50 | subcutaneous | 55ug/kg (0.055mg/kg) | PCT Vol. #86-05395, | |
| rat | LD50 | intravenous | 101ug/kg (0.101mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE BLOOD: CHANGES IN SPLEEN | Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 653, 1978. |
| rat | LD50 | oral | 340ug/kg (0.34mg/kg) | SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION ENDOCRINE: OTHER CHANGES SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 560, 1977. |
| rat | LD50 | subcutaneous | 40ug/kg (0.04mg/kg) | PCT Vol. #86-05395, |
Safety Profile
Hazard Codes Alfacalcidolum (CAS NO.41294-56-8): 
T+,
Xi
Risk Statements: 26/27/28-36/37/38
R26/27/28: Very toxic by inhalation, in contact with skin and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 28-36/37-45-26
S28: After contact with skin, wash immediately with plenty of soap-suds.
S36/37: Wear suitable protective clothing and gloves.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 2811 6.1/PG 1
WGK Germany: 3
RTECS: VS2851000
F: 8-10
HazardClass: 6.1(a)
PackingGroup: I
Standards and Recommendations
The total miscellaneous：≤1.0%
Alfacalcidol Content：97.0%-102.0%