tacalcitol

Ligand id: 2780

Name: tacalcitol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 60.69
Molecular weight 416.33
XLogP 6.41
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
International Nonproprietary Names
INN number INN
6822 tacalcitol
Synonyms
1α,24(OH)2D3 | 1,24-dihydroxyvitamin D3 | TV-02H
Database Links
CAS Registry No. 57333-96-7 (source: Scifinder)
ChEMBL Ligand CHEMBL2105611
PubChem CID 5283734
Search Google for chemical match using the InChIKey BJYLYJCXYAMOFT-RSFVBTMBSA-N
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Wikipedia Tacalcitol