loteprednol etabonate   Click here for help

GtoPdb Ligand ID: 7085

Synonyms: HGP-1 | Inveltys® | Lotemax® | P-5604
Approved drug Immunopharmacology Ligand
loteprednol etabonate is an approved drug (FDA (1998))
Comment: Loteprednol is a corticosteroid.
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View more information in the IUPHAR Pharmacology Education Project: loteprednol

2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 99.13
Molecular weight 466.18
XLogP 3.43
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES ClCOC(=O)C1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)OC(=O)OCC
Isomeric SMILES ClCOC(=O)[C@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)OC(=O)OCC
InChI InChI=1S/C24H31ClO7/c1-4-30-21(29)32-24(20(28)31-13-25)10-8-17-16-6-5-14-11-15(26)7-9-22(14,2)19(16)18(27)12-23(17,24)3/h7,9,11,16-19,27H,4-6,8,10,12-13H2,1-3H3/t16-,17-,18-,19+,22-,23-,24-/m0/s1
InChI Key DMKSVUSAATWOCU-HROMYWEYSA-N

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