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| CAS No.: | 50-14-6 |
|---|---|
| Name: | Vitamin D2 |
| Molecular Structure: | |
|
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| Formula: | C28H44O |
| Molecular Weight: | 396.657 |
| Synonyms: | 9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol,(3b,5Z,7E,22E)- (9CI);Cyclohexanol,4-methylene-3-[2-[tetrahydro-7a-methyl-1-(1,4,5-trimethyl-2-hexenyl)-4(3aH)-indanylidene]ethylidene]-(6CI);Ergocalciferol (7CI,8CI);(+)-Vitamin D2;9,10-Secoergosta-5,7,10(19),22-tetraen-3b-ol;Cyclohexanol,4-methylene-3-[(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]-,(1S,3Z)-;Calciferol;Condocaps;Condol;Crystallina;D-Arthin;D-Tracetten;Davitin;Decaps;Dee-Ron;Dee-Ronal;Deltalin;Deratol;Diviturto;Drisdol;Ergorone;Ertron;Fortodyl;Geltabs;Hi-Deratol;Infron;Metadee;Mina D2;Mulsiferol;Mykostin;NSC 62792;Osteil;Ostelin;Radiostol;Radsterin;Rodine C;Shock-ferol;Sterogyl;Uvesterol D; |
| EINECS: | 200-014-9 |
| Density: | 0.97 g/cm3 |
| Melting Point: | 114-118 °C(lit.) |
| Boiling Point: | 504.2 °C at 760 mmHg |
| Flash Point: | 218.2 °C |
| Solubility: | H2O: 200 mg/mL, clear to hazy |
| Appearance: | odorless white crystals |
| Hazard Symbols: |
 Xn,  T+,  T
|
| Risk Codes: | 22-48/25-26-24/25-40-23/24/25 |
| Safety: | 28-36/37-45-28A-36-26-36/37/39-22 |
| Transport Information: | UN 2811 6.1/PG 2 |
| PSA: | 20.23000 |
| LogP: | 7.64100 |
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(3S,5Z,7E)-3-(3,5-dinitro-benzoyloxy)-9,10-seco-ergosta-5,7,10(19),22t-tetraene
- 50-14-6
Calciferol
| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethanol at 20℃; for 0.75h; Inert atmosphere; | 91% |
| Conditions | Yield |
|---|---|
| Stage #1: Ergosterol In 1,4-dioxane Irradiation; Stage #2: at 100℃; | 23% |
| With diethyl ether Irradiation.mit UV-Licht (durch aethanol. Xylol-Loesung gefiltert); | |
| Einwirkung elektrischer Entladungen; |
| Conditions | Yield |
|---|---|
| mit UV-Licht unter Kuehlung bei Luftausschluss.Irradiation; |
| Conditions | Yield |
|---|---|
| mit UV-Licht unter Kuehlung bei Luftausschluss.Irradiation; |
| Conditions | Yield |
|---|---|
| mit UV-Licht unter Kuehlung bei Luftausschluss.Irradiation; |
| Conditions | Yield |
|---|---|
| UV-Licht.Irradiation; | |
| UV-Licht.Irradiation; |
| Conditions | Yield |
|---|---|
| at 20℃; UV-Licht.Irradiation; |
- 21307-05-1
previtamin D2
- 50-14-6
Calciferol
| Conditions | Yield |
|---|---|
| With benzene at 60℃; Lichtausschluss; | |
| Multi-step reaction with 2 steps 2: diethyl ether / Irradiation.mit UV-Licht (Magnesium-Funken) View Scheme |
- 51744-66-2
3β-hydroxy-9,10-secoergosta-5(E),7(E),10(19),22(E)-tetraene
- 50-14-6
Calciferol
| Conditions | Yield |
|---|---|
| Irradiation.UV-Licht <λ: >290 nm>; |
| Conditions | Yield |
|---|---|
| With diethyl ether Irradiation.mit UV-Licht (Magnesium-Funken); | |
| With diethyl ether Irradiation.mit UV-Licht (Magnesium-Funken); |
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Specification
Vitamin D2 is a provitamin form of vitamin D, also called Ergocalciferol. With then CAS number 50-14-6, Ergocalciferol may be used as a vitamin D supplement, and a 2011 clinical guideline considered it to be as effective as cholecalciferol. Ergosterol gliadin in ethanol, in the UV irradiation open-loop, the reaction solution vacuum concentration, frozen, filtration. Filter liquid nitrogen, vacuum concentration to dry, vitamin D2 crude oil, refined products in. Vitamin D2 is also called VIOSTEROL;(3beta,5Z,7E,22E)-9,10-Secoerga-5,7,10(19),22-tetraen-3-ol; (3beta,5Z,7E,22E)-9,10-Secoergosta-5,7,10(19)-,22-tetraen-3-ol; (3-beta,5z,7e,22e)-9,10-secoergosta-5,7,10,(19),22-tetraen-3-ol; (5E,7E,22E)-9,10-Secoergosta-5,7,10,22-tetraen-3-ol.
Physical properties about Vitamin D2 are: (1)ACD/LogP: 9.148; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.15; (4)ACD/LogD (pH 7.4): 9.15; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 2255513.00; (8)ACD/KOC (pH 7.4): 2255513.00; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.53; (13)Molar Refractivity: 125.793 cm3; (14)Molar Volume: 406.99 cm3; (15)Polarizability: 49.868 10-24cm3; (16)Surface Tension: 37.2000007629395 dyne/cm; (17)Density: 0.975 g/cm3; (18)Flash Point: 218.211 °C; (19)Enthalpy of Vaporization: 89.077 kJ/mol; (20)Boiling Point: 504.199 °C at 760 mmHg
When you are using Vitamin D2, please be cautious about it as the following:
1. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer);
2. Wear suitable protective clothing and gloves;
3. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
4. Wear suitable protective clothing;
5. Wear suitable protective clothing, gloves and eye/face protection;
You can still convert the following datas into molecular structure:
(1)InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1;
(2)InChIKey=MECHNRXZTMCUDQ-RKHKHRCZSA-N;
(3)SmilesC1[C@@]2([C@H](\C(=C\C=C3/C(CC[C@@H](C3)O)=C)CC1)CC[C@@H]2[C@@H](\C=C\[C@@H](C(C)C)C)C)C;
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LDLo | oral | 5mg/kg (5mg/kg) | Drugs in Japan Vol. 6, Pg. 128, 1982. | |
| dog | LDLo | intramuscular | 5mg/kg (5mg/kg) | Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 116, Pg. 138, 1950. | |
| dog | LDLo | intraperitoneal | 10mg/kg (10mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: FLUID INTAKE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 116, Pg. 138, 1950. |
| dog | LDLo | intravenous | 5mg/kg (5mg/kg) | Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 116, Pg. 138, 1950. | |
| dog | LDLo | oral | 4mg/kg (4mg/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 116, Pg. 138, 1950. |
| duck | LD50 | oral | > 2gm/kg (2000mg/kg) | Defense des Vegetaux. Vol. 43(255-256), Pg. 14, 1989. | |
| guinea pig | LDLo | oral | 40mg/kg (40mg/kg) | Drugs in Japan Vol. 6, Pg. 128, 1982. | |
| mouse | LD50 | oral | 23700ug/kg (23.7mg/kg) | Pesticide Manual. Vol. 9, Pg. 115, 1991. | |
| rat | LD50 | oral | 10mg/kg (10mg/kg) | "Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revisionVol. 3, Pg. 132, 1986. | |
| women | TDLo | oral | 12600ug/kg/72 (12.6mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: ANOREXIA (HUMAN | Lancet. Vol. 1, Pg. 1164, 1980. |