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ChEBI
> Main
CHEBI:31784 - loteprednol etabonate
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ChEBI Ontology
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ChEBI Name
loteprednol etabonate
ChEBI ID
CHEBI:31784
Stars
This entity has been manually annotated by the ChEBI Team.
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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-Δ
1
,Δ
4
-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