Topitriol

Calcitriol The physiologically active form of vitamin D. It is formed primarily in the kidney by enzymatic hydroxylation of 25-hydroxycholecalciferol (CALCIFEDIOL). Its production is stimulated by low blood calcium levels and parathyroid hormone. Calcitriol increases intestinal absorption of calcium and phosphorus, and in concert with parathyroid hormone increases bone resorption.

[1_, 25 dihydroxyvitamin D3. The form of vitamin D3 that is biologically active in intestinal transport and calcium resorption by bone.

[1. formation of calcitriol is the second step in the biologic conversion of vitamin D3 to its active form; it is more potent than calcidiol.

Molecular Formula: C₂₇H₄₄O₃

InChI: InChI=1/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1

InChIKey: InChIKey=GMRQFYUYWCNGIN-NKMMMXOEBI
SMILES: [H][C@@]1(CC[C@@]2([H])C(\CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)[C@H](C)CCCC(C)(C)O

CAS number 32222-06-3

Names:
    Calcijex
    calcitriol
    Calcitriol
    calcitriol
    Calcitriol
    calcitriol
    DN-101
    Rocaltrol
    Ro-21-5535
    Silkis
    Topitriol
    (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol
    (1S,3S,5Z)-5-[(2E)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
    (1α,3β,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol
    (5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol
    1alpha,25(OH)2-D3
    1α,25-dihydroxycholecalciferol
    1α,25-dihydroxyvitamin D3
    1,25-DHCC
    1,25-(OH)2-D3
    5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-

Registries:
    PubChem CID 5280453
    Beilstein =2227647
    CAS 32222-06-3 (from NIST)
    ChEBI 17823
    chemPDB VDX
    Kegg C01673
    PubChem ID 12012574
    PubChem ID 4817