eldecalcitol

Ligand id: 2783

Name: eldecalcitol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 90.15
Molecular weight 490.37
XLogP 5.88
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (Japan only)
IUPAC Name
(1R,2R,3R,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]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol
International Nonproprietary Names
INN number INN
8867 eldecalcitol
Synonyms
1α,25-dihydroxy-2β-(3-hydroxypropoxy)vitamin D3 | 2β-(3-hydroxypropoxy)calcitriol | ED-71
Database Links
CAS Registry No. 104121-92-8 (source: Scifinder)
ChEBI CHEBI:73927
PubChem CID 6918141
RCSB PDB Ligand ED9
Search Google for chemical match using the InChIKey FZEXGDDBXLBRTD-AYIMTCTASA-N
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Search UniChem for chemical match using the InChIKey FZEXGDDBXLBRTD-AYIMTCTASA-N
Search UniChem for chemicals with the same backbone FZEXGDDBXLBRTD
Wikipedia Eldecalcitol
Comments
Eldecalcitol is a vitamin D analogue.