diflorasone diacetate   

GtoPdb Ligand ID: 7068

Synonyms: Psorcon® | U-34865
diflorasone diacetate is an approved drug (FDA (1977))
Compound class: Synthetic organic
Comment: Diflorasone is a corticosteroid.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 106.97
Molecular weight 494.21
XLogP 2.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(=O)OC1(C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F)C(=O)COC(=O)C
Isomeric SMILES CC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F)C(=O)COC(=O)C
InChI InChI=1S/C26H32F2O7/c1-13-8-17-18-10-20(27)19-9-16(31)6-7-23(19,4)25(18,28)21(32)11-24(17,5)26(13,35-15(3)30)22(33)12-34-14(2)29/h6-7,9,13,17-18,20-21,32H,8,10-12H2,1-5H3/t13-,17-,18-,20-,21-,23-,24-,25-,26-/m0/s1
InChI Key BOBLHFUVNSFZPJ-JOYXJVLSSA-N
References
1. Auerbach SS, DrugMatrix® and ToxFX® Coordinator National Toxicology Program. 
National Toxicology Program: Dept of Health and Human Services.
Accessed on 02/05/2014. Modified on 02/05/2014. DrugMatrix, https://ntp.niehs.nih.gov/drugmatrix/index.html