Introduction：Basic information about CAS 302904-82-1|Atocalcitol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Atocalcitol |
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| CAS Number | 302904-82-1 | Molecular Weight | 494.70500 |
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| Density | 1.12g/cm3 | Boiling Point | 636.3ºC at 760mmHg |
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| Molecular Formula | C32H46O4 | Melting Point | / |
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| MSDS | / | Flash Point | 338.6ºC |
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Names
| Name | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-1-[[3-(2-hydroxypropan-2-yl)phenyl]methoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol |
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| Synonym | More Synonyms |
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Atocalcitol BiologicalActivity
| Description | Atocalcitol, a vitamin D3 analogue, is used in the study for psoriasis[1]. |
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| Related Catalog | Signaling Pathways >>Others >>OthersResearch Areas >>Inflammation/Immunology |
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| References | [1]. Xuan Xu, et al. The Immunogenetics of Psoriasis and Implications for Drug Repositioning. Int J Mol Sci. 2017 Dec 8;18(12):2650. [2]. Nicklas H Staunstrup, et al. A Sleeping Beauty DNA transposon-based genetic sensor for functional screening of vitamin D3 analogues. BMC Biotechnol. 2011 Apr 7;11:33. |
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Chemical & Physical Properties
| Density | 1.12g/cm3 |
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| Boiling Point | 636.3ºC at 760mmHg |
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| Molecular Formula | C32H46O4 |
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| Molecular Weight | 494.70500 |
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| Flash Point | 338.6ºC |
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| Exact Mass | 494.34000 |
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| PSA | 69.92000 |
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| LogP | 6.20770 |
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| Index of Refraction | 1.579 |
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| InChIKey | CFIFSLBCJAXYTC-FJLAUVHZSA-N |
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| SMILES | C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)COCc2cccc(C(C)(C)O)c2)CC(O)CC1O |
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Synonyms
| UNII-PR3292R3H7 |
| Atocalcitol |
| Atocalcitol [INN] |
| Atocalcitolum |
| Atocalcitolum [INN-Latin] |
| (1S,3R,5Z,7E,20R)-20-(3-(2-Hydroxypropan-2-yl)benzyloxymethyl)-9,10-secopregna-5,7,10(19)-triene-1alpha,3beta-diol |
