calcitriol
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Molecular Identity
calcitriol
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
PubChem CID: 5280453
Calcitriol is a hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group. It is the active form of vitamin D3, produced fom calciol via hydoxylation in the liver to form calcidiol, which is subsequently oxidised in the kidney to give calcitriol. It has a role as a hormone, a metabolite, an antineoplastic agent, a calcium channel agonist, a calcium channel modulator, a bone density conservation agent, a nutraceutical, an antipsoriatic, an immunomodulator, a mouse metabolite and a human metabolite. It is a triol, a hydroxycalciol and a member of D3 vitamins.
2D Structure
Properties
C27H44O3
Molecular Formula
416.60
Molecular Weight
g/mol
416.3290
Exact Mass
Da
5.1
XLogP
Above Lipinski threshold
60.7
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
3
H-Bond Acceptors
688
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
calcitriolRocaltrol32222-06-3CalcijexTopitriol1alpha,25-Dihydroxyvitamin D3SilkisSoltriol1alpha,25-DihydroxycholecalciferolDihydroxyvitamin D3Vectical1,25-DHCCCalcitriolum1,25-DIHYDROXYCHOLECALCIFEROL1alpha,25(OH)2D3
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to calcitriol
Loading drug network...