Name: Doxercalciferol-D3
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212667139
Cas No:2070009-32-2
常用名:Doxercalciferol-D3
IUPAC:(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene](1-2H)ethylidene}-4-(2H2)methylidenecyclohexane-1,3-diol
IUPAC:(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene](1-2H)ethylidene}-4-(2H2)methylidenecyclohexane-1,3-diol
InChI key:HKXBNHCUPKIYDM-ZKEOFIQWSA-N

分子式:C28H44O2
分子量:415.676
氢键供体数 (HBD):2
氢键受体数 (HBA):2
LogP:5.746953
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SMILES:[H][C@@]12[#6]-[#6]-[#6@H](-[#6@H](-[#6])\[#6]=[#6]\[#6@H](-[#6])-[#6](-[#6])-[#6])[C@@]1([#6])[#6]-[#6]-[#6]\[#6]2=[#6]/[#6](/[2H])=[#6]1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])/[#6]/1=[#6](/[2H])[2H]

Doxercalciferol-d3 is the deuterated form of Doxercalciferol and ACTS as vitamin D receptor activator (VDRA), which is a vitamin D2 analogue.

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