elocalcitol

Ligand id: 2785

Name: elocalcitol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 40.46
Molecular weight 442.32
XLogP 6.54
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1R,3Z,5S)-3-[(2E)-2-[(3aS,7aS)-1-[(E,2S)-6-ethyl-6-hydroxyoct-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-fluoro-4-methylidenecyclohexan-1-ol
International Nonproprietary Names
INN number INN
8710 elocalcitol
Synonyms
1α-fluoro-16-ene-20-epi-23-ene-26,27-bishomo-25-hydroxyvitamin D3 | BXL 628 | BXL628 | Ro-26-9228
Database Links
CAS Registry No. 199798-84-0 (source: Scifinder)
PubChem CID 11396600
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