small molecule

Calcidiol

Synonyms/Brands: rayaldee, 25(OH)D3, Calcidiol, Calcifediol, Calcifediolum, 25-Hydroxyvitamin D3, Calcifediol Anhydrous, 25-hydroxycholecalciferol, (3S,5Z,7e)-9,10-Secocholesta-5,7,10-triene-3,25-diol, (3,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol, (5Z,7e)-(3S)-9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, (3beta,5Z,7e)-9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, 3-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexanol

The major circulating metabolite of vitamin D3 (cholecalciferol). It is produced in the liver and is the best indicator of the body's vitamin D stores. It is effective in the treatment of rickets and osteomalacia, both in azotemic and non-azotemic patients. Calcifediol also has mineralizing properties.

Molecular Formula: C₂₇H₄₄O₂

Molecular Weight:: 400.6371

CAS:: 19356-17-3

ATC:: A11CC06

InChiKey:: JWUBBDSIWDLEOM-DTOXIADCSA-N

InChi:: InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1

SMILES:: C[C@H](CCCC(C)(C)O)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C

IUPAC Name:: (1S,3Z)-3-{2-[(1R,3aS,4E,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol

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Chemical Interactions 2
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Chemical Summary

Calcidiol