CHEBI:31784 - loteprednol etabonate

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ChEBI Name loteprednol etabonate
ChEBI ID CHEBI:31784
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H31ClO7
Net Charge 0
Average Mass 466.95144
Monoisotopic Mass 466.17583
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
InChIKey DMKSVUSAATWOCU-HROMYWEYSA-N
SMILES [H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(OC(=O)OCC)C(=O)OCCl
Roles Classification
Application(s): anti-inflammatory drug
A substance that reduces or suppresses inflammation.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing loteprednol etabonate (CHEBI:31784) has functional parent loteprednol (CHEBI:50848)
loteprednol etabonate (CHEBI:31784) has role anti-inflammatory drug (CHEBI:35472)
loteprednol etabonate (CHEBI:31784) is a 11β-hydroxy steroid (CHEBI:35346)
loteprednol etabonate (CHEBI:31784) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
loteprednol etabonate (CHEBI:31784) is a etabonate ester (CHEBI:50850)
loteprednol etabonate (CHEBI:31784) is a organochlorine compound (CHEBI:36683)
loteprednol etabonate (CHEBI:31784) is a steroid acid ester (CHEBI:47887)
loteprednol etabonate (CHEBI:31784) is a steroid ester (CHEBI:47880)
IUPAC Name
chloromethyl 17α-[(ethoxycarbonyl)oxy]-11β-hydroxy-3-oxoandrosta-1,4-diene-17β-carboxylate
Manual Xrefs Databases
1611 DrugCentral
D01689 KEGG DRUG
DB00873 DrugBank
View more database links
Registry Numbers Types Sources
5461012 Beilstein Registry Number Beilstein
82034-46-6 CAS Registry Number ChemIDplus
82034-46-6 CAS Registry Number KEGG DRUG
Last Modified
22 February 2017