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| | Cholecalciferol Impurity A Basic information |
| Product Name: | Cholecalciferol Impurity A | | Synonyms: | (1S,3E)-3-[(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-methylidenecyclohexan-1-ol;(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-DiMethylhexyl]octahydro-7a-Methyl-4H-inden-4-ylidene]ethylidene]-4-Methylenecyclohexanol;(3β,5E,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol;(E,E)-9,10-Secocholesta-
5,7,10(19)-trien-3β-ol;5,6-trans-Cholecalciferol;Cholecalciferol IMpurity A (5,6-trans-Cholecalciferol, 5,6-trans-VitaMin D3);5,6-trans-Vitamin D3;(3.beta., 5E,7E)-9,10-Secocholesa-5,7,10[1p]-trien-3-ol | | CAS: | 22350-41-0 | | MF: | C27H44O | | MW: | 384.64 | | EINECS: | | | Product Categories: | other | | Mol File: | 22350-41-0.mol |  |
| | Cholecalciferol Impurity A Chemical Properties |
| Boiling point | 496.4±24.0 °C(Predicted) | | density | 0.96±0.1 g/cm3(Predicted) | | storage temp. | -65 to -96°C | | solubility | DMF: 25 mg/ml,DMSO: 3 mg/ml,Ethanol: 30 mg/ml | | form | A crystalline solid | | pka | 14.74±0.20(Predicted) | | color | White to light yellow | | Stability: | Light Sensitive, Temperature Sensitive | | InChIKey | QYSXJUFSXHHAJI-FVUVGDFOSA-N | | SMILES | [C@H]1(O)CCC(=C)/C(=C/C=C2\CCC[C@@]3(C)[C@@]\2([H])CC[C@@H]3[C@H](C)CCCC(C)C)/C1 |
| WGK Germany | WGK 3 | | Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | | Hazard Classifications | Acute Tox. 2 Dermal
Acute Tox. 2 Inhalation
Acute Tox. 2 Oral
STOT RE 1 |
| | Cholecalciferol Impurity A Usage And Synthesis |
| Chemical Properties | White to Off-White Solid | | Uses | 5,6-trans-Vitamin D3 is the major photoisomer of Vitamin D3 analog, as an impurity. | | Definition | ChEBI: 5,6-trans-vitamin D3 is a member of the class of D3 vitamins that is calciol in which the double bond at position 5 adopts a trans-configuration. During exposure to sunlight, previtamin D3 and vitamin D3 in the skin become photoisomerized to 5,6-trans-vitamin D3. It has a role as a human metabolite. It is a member of D3 vitamins, a seco-cholestane, a secondary alcohol and a hydroxy seco-steroid. It is functionally related to a calciol. |
| | Cholecalciferol Impurity A Preparation Products And Raw materials |
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