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CHEBI:31784 - loteprednol etabonate

ChEBI IDCHEBI:31784
ChEBI Nameloteprednol etabonate
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC24H31ClO7
Net Charge0
Average Mass466.958
Monoisotopic Mass466.17583
SMILES[H][C@@]12CC[C@](OC(=O)OCC)(C(=O)OCCl)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C
InChIInChI=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
InChIKeyDMKSVUSAATWOCU-HROMYWEYSA-N
Roles Classification
Application:
anti-inflammatory drug  A substance that reduces or suppresses inflammation.
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
D01689KEGG DRUG
DB00873DrugBank
1611DrugCentral
Registry NumbersSources
Beilstein:5461012Beilstein
CAS:82034-46-6KEGG DRUG
CAS:82034-46-6ChemIDplus