Name: Alfacalcidol-D6
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212686849
Cas No:1641940-94-4
常用名:Alfacalcidol-D6
IUPAC:(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-7a-methyl-1-[(2R)-6-(2H3)methyl(7,7,7-2H3)heptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
IUPAC:(1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-7a-methyl-1-[(2R)-6-(2H3)methyl(7,7,7-2H3)heptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
InChI key:OFHCOWSQAMBJIW-VLUFQIGVSA-N

分子式:C27H44O2
分子量:406.684
氢键供体数 (HBD):2
氢键受体数 (HBA):2
LogP:5.8218555
SMILES:[H][C@@]12CC[C@H]([C@H](C)CCCC(C([2H])([2H])[2H])C([2H])([2H])[2H])[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C
SMILES:[H][C@@]12CC[C@H]([C@H](C)CCCC(C([2H])([2H])[2H])C([2H])([2H])[2H])[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C

Alfacalcidol-D6 is a deuterated Alfacalcidol. Alfacalcidol is a non-selective VDR activator medication.

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