Drugs Information: Calcitriol

Basic Information

ID DDInter268
Drug Type small molecule
Molecular Formula C27H44O3
Molecular Weight 416.646
Description Calcitriol is an active metabolite of vitamin D that is used to treat hyperparathyroidism and is also used in dialysis patients to combat hypocalcemia.
ATC Classification D05AX03 A11CC04
IUPAC Name (1R,3S,5Z)-5-{2-[(1R,3As,4E,7Ar)-1-[(2R)-6-Hydroxy-6-Methylheptan-2-Yl]-7A-Methyl-Octahydro-1H-Inden-4-Ylidene]Ethylidene}-4-Met
InChI Inchi=1S/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
InChI Key GMRQFYUYWCNGIN-NKMMMXOESA-N
Canonical 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)C[C@H](O)C1=C
Useful Links DrugBank ChEMBL PubChem

Interactions with Calcitriol

Severity level ID Name Mechanism Detail